data_2kj9_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 2kj9 _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 ' 11' ' ' ARG . . . . . 0.459 ' O ' HG21 ' A' ' 52' ' ' ILE . 30.6 mtt85 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.564 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 38' ' ' ARG . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' HD12 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' ' HG ' ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' HG ' ' HA ' ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.478 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.655 ' HA ' HE21 ' A' ' 92' ' ' GLN . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.534 ' HA ' ' HE3' ' A' ' 95' ' ' MET . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 89' ' ' TYR . 47.6 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HG2' HD11 ' A' ' 60' ' ' LEU . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.525 HG22 ' HE2' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.483 HD13 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' HE1' ' A' ' 87' ' ' MET . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.446 ' HE1' ' HB2' ' A' ' 77' ' ' MET . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.425 ' HA ' ' HE1' ' A' ' 95' ' ' MET . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.53 ' HG2' ' HD2' ' A' ' 11' ' ' ARG . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.553 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.522 HG23 ' SD ' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ILE . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 73' ' ' LEU . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' A' ' 74' ' ' GLU . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.689 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.714 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.522 ' HG2' ' HD2' ' A' ' 11' ' ' ARG . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.423 HG21 HG22 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.112 0.482 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.64 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.676 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.676 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.461 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.64 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.502 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.604 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.608 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.62 ' CE ' HG22 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.494 HG13 HG23 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.646 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.564 HG22 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' HG21 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HD3' HG22 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.667 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.544 ' HG ' HD13 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.667 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.544 HD13 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.484 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.486 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.707 HD11 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.499 HG22 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.535 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.707 ' HD2' HD11 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.453 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.646 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.428 ' HD3' HD11 ' A' ' 96' ' ' ILE . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.569 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.634 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HG22 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.47 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HA ' HG21 ' A' ' 62' ' ' VAL . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.675 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.45 ' O ' ' HB3' ' A' ' 97' ' ' ARG . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.643 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.643 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.547 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.817 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.817 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.889 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD22 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.555 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.515 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.555 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.608 ' SD ' HG22 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.475 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.466 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.688 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.51 HD11 ' HG ' ' A' ' 43' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.439 HD13 ' CE ' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.469 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.417 ' HE3' ' HB2' ' A' ' 77' ' ' MET . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.614 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.512 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.437 HD21 ' CB ' ' A' ' 87' ' ' MET . 7.2 m120 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.529 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 HD12 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.491 HG23 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.507 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 HG22 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 57' ' ' THR . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.468 HD12 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.52 ' HB3' HD11 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.581 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HE2' HD12 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.724 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.724 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 16' ' ' VAL . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.084 0.468 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.455 ' HZ3' ' HH2' ' A' ' 20' ' ' TRP . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.505 ' O ' HG21 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.438 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.43 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.439 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.631 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.553 HD12 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.472 HD12 HD11 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 87' ' ' MET . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.453 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.413 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.631 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 97' ' ' ARG . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.603 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.414 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.81 0.338 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 HG23 ' HE2' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.532 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.586 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.586 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HG3' HD23 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.503 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.503 HD13 HD12 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.482 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.841 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.841 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.53 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.499 ' HE3' HG22 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . 0.501 ' O ' HG11 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.041 0.448 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.491 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.575 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' SER . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.569 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.623 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.55 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.406 HD12 HD22 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 42' ' ' TYR . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.499 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.524 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.584 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HE3' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 18' ' ' LYS . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.505 ' HG ' HD12 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HZ3' ' CD ' ' A' ' 54' ' ' GLU . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.52 ' HA ' HD13 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.559 ' CD ' ' HZ3' ' A' ' 50' ' ' LYS . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.731 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.731 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.491 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.491 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.657 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.657 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.57 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HA ' ' HE2' ' A' ' 95' ' ' MET . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.522 ' HE3' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.57 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.43 ' HB3' HD13 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.709 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.709 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 53' ' ' ALA . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 51' ' ' ASP . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.46 HG23 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.492 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HE2' HG23 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.459 HG21 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 26.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.702 ' SD ' HG22 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.459 HG13 HG21 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.506 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.581 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . 0.4 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.43 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.709 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.524 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.616 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.533 HD13 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.468 HD11 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.517 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.598 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.425 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.581 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.473 HG13 HG21 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.982 0.42 . . . . 0.0 111.28 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' HD13 ' A' ' 47' ' ' ILE . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.516 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.516 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' HD22 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG23 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.521 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 61' ' ' LEU . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.516 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.559 ' CE ' HG23 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.617 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.771 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.45 ' HB3' HD13 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.771 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HZ1' HD22 ' A' ' 55' ' ' LEU . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.54 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.557 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.836 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.836 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.627 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.536 ' O ' HG22 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.483 ' HE1' HG11 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.51 HD13 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD3' HD13 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' SD ' ' A' ' 87' ' ' MET . . . . . . . . 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.443 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.536 HG23 ' CE ' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.587 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.571 ' O ' HG21 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.536 ' CE ' HG23 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.55 ' HE3' HE21 ' A' ' 32' ' ' GLN . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.55 HE21 ' HE3' ' A' ' 27' ' ' TRP . 10.3 mm-40 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 HD22 ' A' ' 60' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 53' ' ' ALA . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 HD12 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 51' ' ' ASP . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.617 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 HG22 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.5 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.643 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 87' ' ' MET . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.509 ' CE ' HG22 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.453 HG13 HG23 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.671 0.272 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.786 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 17.5 m -69.26 -10.14 56.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.17 -29.94 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -86.04 -21.15 27.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.459 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.42 156.4 39.52 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -77.96 -24.4 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.141 0.496 . . . . 0.0 110.218 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.666 ' HB3' HG21 ' A' ' 10' ' ' THR . 19.6 ttt180 -141.29 122.84 15.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.556 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.786 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 6.0 m-20 -56.86 -56.89 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.891 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -97.27 84.21 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.469 . . . . 0.0 110.246 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.666 HG21 ' HB3' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -111.41 156.68 21.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.639 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.459 ' O ' HG21 ' A' ' 52' ' ' ILE . 30.6 mtt85 60.27 26.96 16.46 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.564 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' O ' HG22 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.486 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 38' ' ' ARG . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.597 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.433 ' HG ' HD12 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.597 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.433 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.598 HG21 HD21 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.539 ' HA ' ' HG ' ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.429 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' HG ' ' HA ' ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.506 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.473 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD21 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.478 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.478 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.593 ' HB3' ' HZ3' ' A' ' 65' ' ' LYS . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.517 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.523 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.582 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.582 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.567 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.567 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.655 ' HA ' HE21 ' A' ' 92' ' ' GLN . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.534 ' HA ' ' HE3' ' A' ' 95' ' ' MET . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.429 HG23 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.655 HE21 ' HA ' ' A' ' 89' ' ' TYR . 47.6 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.564 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.429 HG13 HG23 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.441 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.458 ' HG2' HD11 ' A' ' 60' ' ' LEU . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.35 69.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.441 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 22.4 m-85 -87.59 -33.99 18.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.508 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.18 -48.08 77.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.365 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.6 103.02 4.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.447 0.642 . . . . 0.0 110.54 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.59 -0.95 16.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.63 12.1 63.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -170.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.41 -50.24 74.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.725 -0.737 . . . . 0.0 111.013 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.526 HG12 ' H ' ' A' ' 110' ' ' LYS . 19.7 t -95.37 131.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.978 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.33 12.96 10.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.219 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.526 ' H ' HG12 ' A' ' 108' ' ' VAL . 94.5 mttt -129.84 -171.81 2.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.533 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.24 2.3 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.479 0.657 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.8 169.94 8.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.657 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -96.81 -5.07 39.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.064 0.459 . . . . 0.0 110.157 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -123.2 145.32 48.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.267 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -84.97 -39.02 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.11 128.08 55.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.764 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -73.5 -36.66 65.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.006 0.431 . . . . 0.0 110.127 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 168.611 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 92.7 mttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.608 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 14.4 p -80.8 -0.32 38.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.61 -36.76 17.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -79.19 -40.6 30.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.661 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.608 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 54.4 mt-10 -65.75 133.39 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.035 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.14 -26.76 62.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 0.0 110.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -104.5 104.16 13.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.379 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.687 HD22 HG22 ' A' ' 15' ' ' THR . 45.3 t-20 -77.4 121.95 24.5 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -92.28 -8.59 44.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.105 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -104.55 101.54 11.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.939 0.4 . . . . 0.0 111.123 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.53 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 -83.88 62.93 7.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.433 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.687 HG22 HD22 ' A' ' 8' ' ' ASN . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.525 HG22 ' HE2' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.559 ' O ' HG22 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' HG ' HD13 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.483 HD13 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.515 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.515 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' HE1' ' A' ' 87' ' ' MET . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.415 ' HB ' ' HB3' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.415 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.446 ' HE1' ' HB2' ' A' ' 77' ' ' MET . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.569 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.619 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.619 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.425 ' HA ' ' HE1' ' A' ' 95' ' ' MET . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.53 ' HG2' ' HD2' ' A' ' 11' ' ' ARG . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.553 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.577 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -8.97 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -104.8 -37.16 7.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.336 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 15.87 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.063 -176.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.6 -18.2 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.91 20.38 12.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.845 173.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.08 27.22 73.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.901 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.38 -18.69 54.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.859 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.3 m -72.23 134.26 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -93.72 -6.74 45.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.284 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.97 1.81 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.6 tp -138.88 163.29 32.68 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.61 128.23 35.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.47 -29.17 67.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -136.71 97.39 3.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.993 0.425 . . . . 0.0 110.23 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -104.95 117.77 34.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.65 152.91 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 118' ' ' HIS . 5.7 t60 -54.47 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.402 0.439 . . . . 0.0 110.157 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 117' ' ' HIS . 79.0 t60 . . . . . 0 C--O 1.249 1.035 0 O-C-N 123.916 0.76 . . . . 0.0 109.025 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.599 0.237 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -74.78 123.18 24.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 m -120.01 142.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.882 0.372 . . . . 0.0 111.024 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 6' ' ' LYS . 47.6 mt-30 -107.46 133.48 51.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.243 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -77.45 22.88 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' H ' ' C ' ' A' ' 4' ' ' GLN . 88.0 mttt -90.13 -7.39 53.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.899 177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -74.67 -63.86 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.572 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.62 152.75 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -106.53 96.79 6.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.8 m -82.79 140.26 33.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.522 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 -87.61 25.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.522 HG23 ' SD ' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.592 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.592 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.461 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.424 HG22 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.689 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.689 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HD3' HD21 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.508 HD11 HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' H ' ' C ' ' A' ' 52' ' ' ILE . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.508 HD11 HD11 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.448 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.603 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.603 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.46 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.41 HD21 ' HA ' ' A' ' 73' ' ' LEU . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.402 ' HE1' ' HA ' ' A' ' 74' ' ' GLU . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.689 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.689 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.714 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.402 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.714 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.522 ' HG2' ' HD2' ' A' ' 11' ' ' ARG . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.423 HG21 HG22 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.733 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.96 16.52 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.733 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 35.8 t80 -96.16 -44.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.075 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.84 -3.29 24.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.701 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.435 HD12 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -79.69 -18.01 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.376 . . . . 0.0 110.795 177.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.435 ' N ' HD12 ' A' ' 104' ' ' LEU . 45.6 tt0 -81.6 99.77 9.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.7 -8.22 8.25 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.68 126.96 31.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.593 ' HA ' ' HB2' ' A' ' 111' ' ' LEU . 27.2 m -71.15 2.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 111.882 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.29 -34.08 76.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.728 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -122.42 24.68 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.876 0.846 . . . . 0.0 109.611 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 108' ' ' VAL . 85.0 mt -113.75 56.73 0.7 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.085 173.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -61.12 147.01 45.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.71 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -77.66 -27.56 50.98 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.81 99.5 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.416 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.91 111.93 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -82.61 144.78 30.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 0.0 111.515 -171.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -104.29 -6.94 20.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.758 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.19 179.72 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.738 0.304 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -98.53 103.28 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.42 161.83 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.6 -55.83 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.133 0.492 . . . . 0.0 109.782 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.484 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mm-40 -118.67 147.9 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.923 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.62 -33.98 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.588 ' O ' HG22 ' A' ' 15' ' ' THR . 74.4 mtp85 -73.75 -4.97 37.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.662 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.484 ' OD1' ' HB2' ' A' ' 5' ' ' GLU . 4.1 m-20 -71.09 -12.2 61.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 0.0 109.853 175.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.37 -38.89 40.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.735 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -74.46 119.24 18.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.191 0.52 . . . . 0.0 110.765 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 -95.89 34.18 1.57 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.316 -172.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.64 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.588 HG22 ' O ' ' A' ' 7' ' ' ARG . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.62 HG22 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' O ' HG22 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.676 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.676 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.461 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.64 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.546 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.467 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.485 HD13 HD13 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.485 HD13 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.569 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.461 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.502 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.604 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.604 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.532 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.532 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.608 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.62 ' CE ' HG22 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.494 HG13 HG23 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.13 69.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -80.32 -19.62 46.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.498 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.64 -24.19 65.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.919 -173.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.402 HD12 HD23 ' A' ' 61' ' ' LEU . 82.0 mt -70.55 -28.65 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 66.29 -56.4 0.38 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.566 0.746 . . . . 0.0 112.049 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.11 46.52 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.96 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.17 132.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.488 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.4 179.81 5.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.99 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.42 -26.41 66.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 tp -75.45 -19.24 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -103.83 162.68 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.409 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -137.04 175.93 9.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.541 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.93 -21.44 57.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.924 0.392 . . . . 0.0 110.597 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -116.98 97.24 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.167 173.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.85 89.92 7.68 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.37 137.31 50.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.978 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.001 176.837 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -82.51 153.23 25.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.94 -47.72 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -136.06 124.57 23.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.888 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -95.56 -162.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -86.48 28.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 110.998 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -97.3 177.09 5.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.988 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -141.94 108.1 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.827 0.346 . . . . 0.0 110.483 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -73.73 89.22 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.519 . . . . 0.0 110.07 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -72.78 138.49 46.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.011 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.646 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 -77.26 35.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.564 HG22 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.478 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.496 ' O ' HG21 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.478 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.614 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.499 ' HD3' HG22 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.667 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.544 ' HG ' HD13 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.667 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.544 HD13 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.494 HD13 HD11 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.45 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.525 ' OG1' ' HG ' ' A' ' 104' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.476 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.486 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.707 HD11 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.478 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.499 HG22 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.478 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.535 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.707 ' HD2' HD11 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.535 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.552 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.453 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.646 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.428 HD11 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.552 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.639 ' HA ' HD22 ' A' ' 104' ' ' LEU . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.66 2.82 10.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.552 ' CE2' ' HB2' ' A' ' 99' ' ' ASN . 24.0 m-85 -87.05 2.82 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.57 97.94 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.001 0.813 . . . . 0.0 110.668 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 100' ' ' PRO . 6.5 mt -75.38 -23.74 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.115 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.28 33.06 19.22 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.244 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.21 -6.94 58.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.459 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 63.3 -164.12 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.171 0.588 . . . . 0.0 111.555 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.3 m -89.16 144.23 9.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -76.44 -37.75 56.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.635 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -102.18 100.36 10.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.425 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.37 166.39 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.039 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.44 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -68.04 -47.9 67.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.844 179.179 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -101.68 120.48 40.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.71 -35.74 19.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.05 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -88.4 112.77 23.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.4 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -80.71 112.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 0.0 110.152 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -100.67 168.42 9.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.069 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.7 t60 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.524 174.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -83.58 -62.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.337 0.589 . . . . 0.0 109.913 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.83 177.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.949 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 68.64 20.65 8.2 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.698 0.624 . . . . 0.0 111.414 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.42 13.12 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.631 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -142.31 62.29 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.022 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -88.14 114.17 24.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.26 148.51 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.396 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.23 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 p -97.49 136.46 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.245 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.47 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 -83.73 60.72 5.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG22 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.548 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.552 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.407 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.548 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.522 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.634 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.569 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.634 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.569 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.454 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HG22 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.454 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.419 HD13 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.492 HG22 HD23 ' A' ' 104' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.42 ' HA ' HG21 ' A' ' 62' ' ' VAL . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.58 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.447 HD13 HD21 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.537 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.675 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.675 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.556 HG21 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.614 ' SD ' HG22 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.45 ' O ' ' HB3' ' A' ' 97' ' ' ARG . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.1 89.93 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.52 -47.17 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.864 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.74 -20.22 59.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 -171.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.492 HD23 HG22 ' A' ' 57' ' ' THR . 2.8 tm? -55.89 -42.97 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.175 0.512 . . . . 0.0 110.173 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.0 6.1 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.855 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.56 9.16 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.15 -23.05 59.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 111.119 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.1 144.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.472 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 61.04 86.13 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.328 0.585 . . . . 0.0 110.679 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.62 115.42 29.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.538 . . . . 0.0 111.048 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.37 140.02 30.41 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 150.31 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.716 -0.394 . . . . 0.0 109.995 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -63.86 -27.59 69.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.849 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -98.29 107.27 19.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.17 69.5 1.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 111.627 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -140.25 -8.62 1.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.702 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -136.36 121.94 19.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.134 0.492 . . . . 0.0 111.841 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.633 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.815 0.341 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -146.09 112.06 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.117 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.18 179.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -101.96 9.92 40.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.645 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.03 162.4 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.281 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.29 -23.38 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.091 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 7' ' ' ARG . 40.7 ttt-85 -62.67 -28.79 70.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.58 87.83 7.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.391 0.615 . . . . 0.0 109.43 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.07 106.65 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -83.92 21.55 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.46 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.446 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 -116.6 19.49 14.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.268 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.608 HG22 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.643 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG22 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.643 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.451 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.547 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.517 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.817 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.817 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.889 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.889 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD22 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.548 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.555 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.555 HG22 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.515 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.512 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.409 ' O ' HG21 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.512 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.555 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.555 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.487 HG21 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.608 ' SD ' HG22 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.475 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.5 66.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.39 -30.23 11.58 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.33 -50.0 74.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.014 0.435 . . . . 0.0 110.209 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.463 ' HB2' HG23 ' A' ' 57' ' ' THR . 45.3 tp -81.67 -30.05 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.235 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 65.3 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.836 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.89 27.79 0.35 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.54 108.74 8.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 0.0 110.511 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.42 109.03 20.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.935 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -68.3 -45.48 72.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -104.67 96.09 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.59 -42.96 99.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.678 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.66 97.19 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.221 0.534 . . . . 0.0 110.175 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.14 111.43 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.284 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -95.77 114.72 26.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.648 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.27 -33.18 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.353 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -81.81 82.98 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -81.43 113.12 19.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.878 -176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.1 t60 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.169 170.43 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -146.1 157.95 43.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.79 -51.88 8.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.132 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.19 167.65 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.165 0.507 . . . . 0.0 111.303 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -86.35 162.06 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.676 -175.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -80.36 -38.14 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -81.21 -7.23 59.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.3 t30 59.08 71.03 0.61 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.658 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -90.67 112.9 24.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.645 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -141.18 125.07 17.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.552 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 -80.9 61.65 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.614 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.487 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.563 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.51 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.688 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.688 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.51 HD11 ' HG ' ' A' ' 43' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.466 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.491 HD21 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.589 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.439 HD13 ' CE ' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.589 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.469 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.409 HD21 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.469 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.417 ' HE3' ' HB2' ' A' ' 77' ' ' MET . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.439 HG22 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.579 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.579 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.614 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.512 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.437 HD21 ' CB ' ' A' ' 87' ' ' MET . 7.2 m120 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.58 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -121.32 16.71 11.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.279 0.561 . . . . 0.0 110.113 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.465 ' HB2' ' HA ' ' A' ' 100' ' ' PRO . 26.8 t70 -66.89 -14.48 62.8 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.445 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.0 mt -73.01 -10.09 59.43 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.419 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 72.59 -58.77 0.58 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.564 0.746 . . . . 0.0 111.051 -179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.1 42.02 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.025 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.18 -19.35 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.378 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.31 93.61 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.131 0.491 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -119.56 156.65 29.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -94.21 -6.55 44.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.74 -32.15 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.243 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.589 ' OE2' ' HA ' ' A' ' 115' ' ' HIS . 17.4 tt0 -113.02 108.28 17.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -63.22 -34.84 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.12 -170.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -137.6 97.56 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.589 ' HA ' ' OE2' ' A' ' 112' ' ' GLU . 3.5 t60 -53.79 126.13 20.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.669 -176.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . 0.455 ' O ' ' HD2' ' A' ' 115' ' ' HIS . 95.9 m-70 -66.6 139.43 57.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.001 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -84.61 1.69 44.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.776 179.314 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -86.84 163.76 17.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.229 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.59 -62.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.254 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -88.71 128.86 35.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.398 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.62 157.1 38.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.89 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -76.85 -43.89 34.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 52.15 68.01 0.88 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.364 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.97 104.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.015 0.436 . . . . 0.0 109.866 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.65 111.95 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.876 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 p -94.0 168.47 10.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -82.5 56.96 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.534 HG21 ' SD ' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.571 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.571 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.467 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.529 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.529 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 HD12 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.491 HG23 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.488 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.507 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.553 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 HD21 HG22 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD21 HD21 ' A' ' 104' ' ' LEU . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.468 HD12 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.52 ' HB3' HD11 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.52 HD11 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG21 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.468 ' HE2' HD12 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.453 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.724 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.724 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.453 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.534 ' SD ' HG21 ' A' ' 16' ' ' VAL . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.69 -12.43 61.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -81.84 -25.6 35.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.094 0.474 . . . . 0.0 110.028 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.03 -33.84 74.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.429 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.516 HD21 HD21 ' A' ' 61' ' ' LEU . 4.4 pp -79.93 -7.75 58.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.6 -17.69 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.99 -18.64 79.22 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.36 111.41 4.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 m -93.6 145.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.279 0.561 . . . . 0.0 111.809 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.52 -28.91 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -118.1 125.96 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.099 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -98.92 137.73 37.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.774 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.78 136.64 41.67 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -55.91 -54.42 44.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.027 0.441 . . . . 0.0 110.909 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -112.17 136.15 51.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -83.92 25.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -170.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 67.73 -76.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.473 0.709 . . . . 0.0 111.351 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.31 -29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.832 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.106 -176.531 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -81.65 70.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.236 0.541 . . . . 0.0 110.394 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -105.79 -172.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.198 -173.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -81.44 -34.64 31.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.677 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -62.42 -31.27 71.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.69 -172.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.29 5.4 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.709 0.29 . . . . 0.0 111.343 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -91.45 -20.23 21.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 0.0 110.138 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -111.63 84.06 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.763 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.04 83.18 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 p -80.35 157.27 26.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -91.63 27.09 2.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.052 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.509 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.455 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.455 ' HZ3' ' HH2' ' A' ' 20' ' ' TRP . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.505 ' O ' HG21 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.434 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.509 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.438 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.519 ' HG ' HD12 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.43 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.519 HD12 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.509 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.507 ' HA ' HD11 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.547 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.523 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.523 HG22 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.462 ' O ' HG22 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.404 ' HB3' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.479 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.479 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.582 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.582 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.554 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.467 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.426 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.439 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.426 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.46 -17.82 60.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -106.01 3.83 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.37 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -167.98 106.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.591 0.71 . . . . 0.0 110.511 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.465 ' HA ' HG21 ' A' ' 57' ' ' THR . 21.8 mt -76.81 -14.47 59.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.595 177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 66.39 -61.43 0.3 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.766 0.826 . . . . 0.0 111.18 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.15 53.5 0.21 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.325 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.79 -61.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.268 0.556 . . . . 0.0 109.926 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.08 -177.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 35.0 tt0 65.14 13.91 9.03 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.47 0.652 . . . . 0.0 110.795 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.18 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.972 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.97 14.18 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.7 145.14 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.838 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -66.12 -22.78 66.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.629 -170.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.46 -24.5 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.872 0.368 . . . . 0.0 110.092 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -103.61 123.1 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.28 168.09 10.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -88.71 -62.79 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.841 176.338 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -145.7 148.8 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.255 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 m -124.9 111.97 30.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -105.43 167.77 9.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.739 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.05 -57.22 13.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.594 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.497 ' HB2' ' HZ2' ' A' ' 6' ' ' LYS . 10.2 mtmp? 52.79 50.76 17.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 110.995 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -86.04 -173.46 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.704 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -144.79 -179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.127 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -85.61 118.66 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.686 0.279 . . . . 0.0 110.353 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -115.88 126.79 54.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.4 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 62.26 11.04 4.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.631 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG21 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.555 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.437 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.555 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.46 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.553 ' HG ' HD12 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.486 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.553 HD12 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.472 HD11 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.472 HD12 HD11 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.485 HD23 ' HE1' ' A' ' 87' ' ' MET . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD22 HD13 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.579 HD13 HD22 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.406 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.453 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.406 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.453 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.498 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.413 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.574 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.631 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 97' ' ' ARG . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.603 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.414 ' C ' HD21 ' A' ' 99' ' ' ASN . 0.2 OUTLIER -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 -15.05 63.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -98.27 -23.38 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.975 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.465 ' OD2' ' HA ' ' A' ' 100' ' ' PRO . 19.9 m-20 -61.88 -33.23 73.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.691 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.78 -29.31 69.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.63 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 67.63 -61.7 0.36 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 124.028 0.83 . . . . 0.0 110.844 -173.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.68 22.87 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.536 ' HA ' ' HG2' ' A' ' 110' ' ' LYS . . . -86.23 14.51 6.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 -176.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.96 -29.42 46.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -109.43 14.8 23.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.272 0.558 . . . . 0.0 110.179 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.536 ' HG2' ' HA ' ' A' ' 107' ' ' ALA . 33.7 mmtp -98.29 116.82 31.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.38 119.75 22.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.32 125.49 23.96 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.388 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -79.97 80.97 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.075 0.464 . . . . 0.0 110.162 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.05 135.05 44.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.153 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -71.15 105.68 3.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.169 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -82.01 90.43 6.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.872 -173.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -89.47 -45.69 9.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 169.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.626 174.388 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.045 0.45 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 16.7 p -65.61 -31.84 73.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.034 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.87 -25.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.6 17.1 17.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.95 0.405 . . . . 0.0 110.171 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -142.91 174.1 10.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.672 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -95.8 8.8 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 0.0 111.526 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -102.4 100.27 10.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.573 ' O ' ' HB2' ' A' ' 2' ' ' SER . 54.0 t30 61.89 85.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.108 0.88 . . . . 0.0 112.542 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -110.2 131.4 55.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.484 HG23 ' H ' ' A' ' 12' ' ' ALA . 24.8 m -117.13 127.41 54.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.433 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 -84.97 14.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.332 -176.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' H ' HG23 ' A' ' 10' ' ' THR . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 HG23 ' HE2' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.532 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.479 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.48 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.53 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.586 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.586 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.519 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.502 ' HG3' HD23 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.503 HD12 HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.503 HD13 HD12 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.482 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.467 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.466 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.482 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.535 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.841 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.841 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.467 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.407 HG21 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.53 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.562 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.562 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.501 HG11 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.499 ' HE3' HG22 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . 0.501 ' O ' HG11 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.66 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -72.19 -13.82 61.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.784 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.87 -30.77 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 HD21 HG22 ' A' ' 57' ' ' THR . 4.4 mm? -57.1 -48.3 78.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.71 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 40.7 mt-10 -81.11 8.65 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.817 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.0 -16.09 29.11 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.491 -0.643 . . . . 0.0 111.491 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.66 159.02 26.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.668 0.27 . . . . 0.0 110.81 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.48 -15.51 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.391 . . . . 0.0 111.119 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.21 -17.54 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.294 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.71 ' HG3' ' HA ' ' A' ' 105' ' ' GLU . 68.4 mmtt -96.62 5.26 51.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.158 0.504 . . . . 0.0 110.878 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.8 tp -91.23 -26.36 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -78.24 142.95 37.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.725 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -97.08 76.43 2.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.344 0.593 . . . . 0.0 110.031 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -107.75 -17.82 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.625 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.94 147.49 46.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -78.54 -34.81 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.339 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.53 -67.88 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.633 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.803 0.335 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.479 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 14.7 m -112.08 151.97 28.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.34 -45.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.114 0.483 . . . . 0.0 110.101 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.88 -80.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 2' ' ' SER . 39.7 mt-10 -81.14 107.53 14.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.287 0.565 . . . . 0.0 109.798 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -81.95 10.74 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.699 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 7' ' ' ARG . 31.6 ttp85 -142.1 108.6 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 170.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -71.76 107.02 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -104.59 101.3 10.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -77.93 140.27 39.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.584 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 69.26 24.09 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.77 0.669 . . . . 0.0 110.495 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.491 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.412 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.491 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.575 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.538 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.412 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.4 ' HG3' ' O ' ' A' ' 34' ' ' SER . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.541 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.474 ' HB3' HD12 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.539 ' HG ' HD12 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.569 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.569 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.623 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.623 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.484 HD12 HD13 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD12 HD23 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.604 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.536 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD23 HD12 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.55 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.55 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.406 HD12 HD22 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.474 HD12 ' HB3' ' A' ' 42' ' ' TYR . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.499 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.501 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.499 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.501 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.403 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.426 ' HZ1' ' CD ' ' A' ' 112' ' ' GLU . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.524 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.554 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.524 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.554 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.584 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.537 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -14.75 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -98.87 0.62 44.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.771 0.32 . . . . 0.0 110.533 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.7 -35.94 22.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.018 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 1.1 pt? -92.68 102.23 14.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 111.44 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.51 -13.33 12.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.881 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.78 11.17 27.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.384 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.76 0.16 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.958 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.14 131.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.181 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.02 -42.44 69.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.022 0.439 . . . . 0.0 111.301 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -75.27 153.45 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.733 HD21 ' HA ' ' A' ' 118' ' ' HIS . 21.8 mt -92.18 159.39 15.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.778 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.752 ' HB2' ' HD2' ' A' ' 115' ' ' HIS . 43.8 mt-10 -77.87 139.24 39.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.65 71.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.344 0.593 . . . . 0.0 110.65 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -175.51 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.735 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.752 ' HD2' ' HB2' ' A' ' 112' ' ' GLU . 38.0 m-70 -96.58 176.63 5.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 -177.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -121.81 -20.31 6.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.693 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.47 -63.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.961 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.733 ' HA ' HD21 ' A' ' 111' ' ' LEU . 3.2 t-160 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.303 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' HG3' ' OE2' ' A' ' 5' ' ' GLU . 52.6 mttp . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -65.53 -55.01 20.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.419 HG22 ' HG3' ' A' ' 5' ' ' GLU . 22.1 m -73.47 153.33 7.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.028 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.43 -28.17 63.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' OE2' ' HG3' ' A' ' 1' ' ' LYS . 43.1 mt-10 57.02 -153.45 0.37 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.377 0.423 . . . . 0.0 110.76 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.66 31.45 21.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 111.316 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 7' ' ' ARG . 60.2 mtt180 -136.72 150.45 48.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.637 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.4 -35.53 63.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.094 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.65 18.21 11.29 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 177.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 p -84.16 15.22 3.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.606 0.717 . . . . 0.0 111.702 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -150.42 21.01 0.84 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.038 176.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.522 HG21 ' HE3' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.527 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 18' ' ' LYS . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.5 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.505 ' HG ' HD12 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.5 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HZ3' ' CD ' ' A' ' 54' ' ' GLU . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.52 ' HA ' HD13 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.559 ' CD ' ' HZ3' ' A' ' 50' ' ' LYS . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.5 HG21 ' HB2' ' A' ' 104' ' ' LEU . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.628 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.731 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.731 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.491 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.491 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.657 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' HZ2' ' CG ' ' A' ' 103' ' ' ASP . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.657 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.57 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.511 ' HA ' ' HE2' ' A' ' 95' ' ' MET . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.451 HG21 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.522 ' HE3' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.469 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.57 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.99 10.85 8.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -98.55 19.39 14.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.447 ' CG ' ' HZ2' ' A' ' 80' ' ' LYS . 29.2 m-20 60.28 83.62 0.14 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.748 175.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.5 ' HB2' HG21 ' A' ' 57' ' ' THR . 4.3 mm? -69.0 -42.07 76.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.61 -0.18 12.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.6 -3.89 54.99 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 175.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.12 111.39 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.039 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.91 134.21 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 110.794 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.42 166.98 10.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.979 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -103.96 144.11 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.2 mt -75.37 -33.93 61.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.34 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 70.85 -51.56 0.68 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.989 0.806 . . . . 0.0 111.054 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.75 147.15 41.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 68.1 26.41 7.19 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.544 0.527 . . . . 0.0 110.066 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -137.14 113.2 9.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.351 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -105.19 170.43 7.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.33 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -91.1 -32.31 15.9 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.29 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -91.85 119.08 31.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.23 -174.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -109.47 152.31 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.112 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -114.08 135.84 53.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.492 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -76.91 142.42 40.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.689 175.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -107.15 -6.41 17.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.712 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -113.53 94.27 4.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -83.65 122.58 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.211 -170.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -122.79 101.46 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 171.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.88 143.11 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.834 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -84.03 62.9 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.425 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.702 HG22 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.405 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.502 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.546 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.43 ' HB3' HD13 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.709 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.709 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.486 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.425 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 53' ' ' ALA . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.474 HD12 HD13 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 51' ' ' ASP . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.54 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.408 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.46 HG23 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.43 HD13 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.492 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.492 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.464 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.46 ' HE2' HG23 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.506 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.403 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.459 HG21 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 26.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.702 ' SD ' HG22 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.459 HG13 HG21 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.506 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -29.5 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -75.84 -37.14 59.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.024 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.97 -18.61 55.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.7 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -72.41 -45.5 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.4 -30.31 68.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.187 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.09 -2.79 79.67 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.752 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.41 -25.08 63.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.462 0.649 . . . . 0.0 109.472 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.0 t -111.19 121.16 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.976 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -70.14 -32.75 70.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.788 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 61.86 -163.65 0.26 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.083 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -153.95 -32.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.53 171.83 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -139.02 179.6 6.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.985 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.32 -40.54 81.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -165.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.08 19.77 15.48 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.688 -170.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -115.42 75.48 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.51 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -139.65 -32.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.064 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.088 176.317 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -126.45 162.83 24.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.36 -34.96 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 110.392 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -119.22 132.75 55.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.378 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.98 137.02 34.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.07 0.462 . . . . 0.0 110.671 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -66.91 -23.54 66.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.01 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.01 104.97 7.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.347 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -78.35 107.74 11.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -79.42 102.78 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.07 0.462 . . . . 0.0 111.095 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m -68.13 142.91 55.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.48 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.515 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 -81.55 20.2 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.581 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . 0.4 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG22 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.43 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.709 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.524 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.709 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.616 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.541 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.616 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.533 HD13 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.515 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.541 ' HB1' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.601 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.468 HD11 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.507 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.507 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.425 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.517 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.598 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.425 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.517 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.547 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.584 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.479 ' HB3' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.581 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.473 HG13 HG21 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.47 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.05 -35.51 59.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -71.22 -8.56 54.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.253 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.55 -32.55 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.086 0.47 . . . . 0.0 109.784 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.417 HD22 ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -80.15 -39.56 29.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.019 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.62 8.8 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.268 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.13 30.56 0.98 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.09 150.16 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.979 0.419 . . . . 0.0 111.708 -175.062 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG13 ' H ' ' A' ' 110' ' ' LYS . 37.7 t -98.04 119.33 45.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.175 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -72.47 -10.01 59.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.647 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . 0.503 ' H ' HG13 ' A' ' 108' ' ' VAL . 65.6 mttm -70.76 -17.62 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -177.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.6 mt -110.56 14.53 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.428 ' OE1' ' HB2' ' A' ' 114' ' ' HIS . 6.4 tm-20 -83.6 146.36 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.836 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -65.66 -43.87 88.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.428 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 96.6 m-70 -68.49 -20.43 64.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.03 0.443 . . . . 0.0 110.603 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.66 -5.47 56.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.265 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.36 -166.24 1.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.25 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -102.95 -55.77 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 23.7 m170 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.845 175.45 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.1 mttm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -72.17 -3.76 25.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.767 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.55 -31.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.348 0.594 . . . . 0.0 110.086 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -135.57 116.99 14.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.276 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.81 147.74 18.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -174.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.53 178.7 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.661 -174.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -86.56 -37.32 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.471 . . . . 0.0 110.251 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -98.46 90.68 4.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.726 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 t -127.98 151.68 48.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.49 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 57.63 21.56 7.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 -175.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG23 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.537 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.621 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.621 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 ' HG ' HD13 ' A' ' 47' ' ' ILE . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.516 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.516 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.521 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.47 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HB3' HD22 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG23 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.513 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 51' ' ' ASP . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.442 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.521 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.627 HD11 HD21 ' A' ' 104' ' ' LEU . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.516 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.487 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.486 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.486 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.423 ' HE3' ' HB3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.411 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.525 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.525 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.585 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG22 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.585 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.559 ' CE ' HG23 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.513 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.479 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.68 61.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.479 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 14.6 t80 -82.85 -30.93 28.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.69 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.93 -13.85 59.56 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.564 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.627 HD21 HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -62.97 -44.49 95.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.66 3.57 32.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.53 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.42 -14.74 79.68 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.96 100.73 13.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.48 105.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.728 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -79.95 -167.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.937 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -90.76 -36.0 14.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 24.6 tp 56.27 40.05 30.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.955 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.28 120.3 11.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -68.85 -28.08 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -83.39 88.14 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 170.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -77.29 93.47 4.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.933 0.397 . . . . 0.0 110.128 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -107.65 101.81 11.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.157 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -92.34 158.34 16.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.041 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.245 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -84.31 116.26 22.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 m -77.43 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -116.51 122.46 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.557 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -88.6 132.14 34.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.9 -28.95 64.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.62 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 7' ' ' ARG . 16.1 ptt180 -142.55 154.93 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -79.67 151.65 30.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.894 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -90.93 -50.48 5.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.355 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 p -126.63 137.56 53.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.945 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -84.13 14.3 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG11 ' HE1' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.617 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.461 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.617 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.561 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.561 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.771 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.45 ' HB3' HD13 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.771 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.428 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.501 ' HZ1' HD22 ' A' ' 55' ' ' LEU . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.54 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.515 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.557 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.836 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.836 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.627 ' HZ1' ' HB3' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.45 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.45 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.542 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.542 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.507 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.536 ' O ' HG22 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.536 HG22 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.483 ' HE1' HG11 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.51 HD13 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . 0.459 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.51 ' HD3' HD13 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.493 ' HB3' ' SD ' ' A' ' 87' ' ' MET . . . -99.16 10.9 40.51 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . 0.714 ' O ' HD21 ' A' ' 104' ' ' LEU . 22.4 m-85 -79.24 121.73 25.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 166.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.88 61.93 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.948 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.714 HD21 ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -56.1 -60.31 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 177.403 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.61 -67.59 0.18 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.934 0.771 . . . . 0.0 110.925 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.42 41.74 0.28 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.62 -174.99 4.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.6 t -62.96 -39.03 83.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.494 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -75.31 93.09 2.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.211 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -101.86 116.42 32.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.907 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.44 118.49 15.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.63 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.13 120.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.019 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -77.94 127.6 32.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.26 -175.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.51 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -106.3 -12.63 15.63 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -131.86 125.24 31.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.785 170.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 m170 65.72 90.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.735 0.647 . . . . 0.0 110.153 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.228 -175.125 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.73 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 27.5 p -81.6 96.54 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.667 0.746 . . . . 0.0 112.024 -169.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 m -106.42 130.63 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.228 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 56.88 78.02 0.24 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.562 0.696 . . . . 0.0 109.375 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.73 ' HG2' ' HB2' ' A' ' 2' ' ' SER . 34.5 mt-10 -83.84 152.12 24.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.352 -169.11 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.47 -54.25 18.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -114.67 141.94 47.14 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 166.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -71.33 80.99 0.75 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.837 0.827 . . . . 0.0 109.609 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.94 82.99 1.39 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.672 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 15.9 m -69.43 116.33 9.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.083 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -84.97 14.2 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.496 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.443 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.536 HG23 ' CE ' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.516 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.579 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.525 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' HG ' HD13 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.587 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD13 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.443 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.519 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.519 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.51 HG22 HD21 ' A' ' 104' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.584 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.584 HG21 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.419 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.464 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.549 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.571 ' O ' HG21 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.571 HG21 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.536 ' CE ' HG23 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.16 68.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -98.69 -30.54 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -67.17 -21.02 65.82 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.334 175.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.51 HD21 HG22 ' A' ' 57' ' ' THR . 2.9 tm? -59.86 -44.14 94.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.43 -15.6 61.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.393 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.02 -13.75 83.35 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.346 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.03 99.2 11.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.2 t -69.82 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.749 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -65.46 -37.36 86.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.326 0.584 . . . . 0.0 109.97 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.76 97.53 8.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.15 50.69 0.63 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -167.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 66.14 -78.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.05 155.32 22.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.368 0.604 . . . . 0.0 112.051 -168.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -106.27 96.14 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.61 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.25 -37.18 69.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -93.11 110.64 22.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -88.17 179.17 6.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.951 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.068 0.855 . . . . 0.0 110.797 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.648 0.261 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -78.15 -40.46 37.87 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -171.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.35 -34.36 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 110.899 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -98.42 -165.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.408 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -92.81 113.53 25.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.766 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -58.96 -31.5 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.817 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -112.14 119.45 38.45 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -79.23 50.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.615 0.722 . . . . 0.0 111.1 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -102.5 -37.09 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.535 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -91.59 136.82 32.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.099 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 65.34 3.02 2.13 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.283 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.462 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.509 HG22 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.55 ' HE3' HE21 ' A' ' 32' ' ' GLN . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' O ' HG22 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.55 HE21 ' HE3' ' A' ' 27' ' ' TRP . 10.3 mm-40 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.503 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.56 HG22 HD22 ' A' ' 60' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.485 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.42 ' C ' ' H ' ' A' ' 53' ' ' ALA . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 HD12 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.42 ' H ' ' C ' ' A' ' 51' ' ' ASP . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD12 HD12 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.514 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.617 ' O ' HG21 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.56 HD22 HG22 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.617 HG21 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.507 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.431 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.5 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.431 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.474 ' HA ' ' HE1' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' MET . . . . . 0.474 ' HE1' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.643 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.643 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.411 ' HB2' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 87' ' ' MET . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.509 ' CE ' HG22 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.453 HG13 HG23 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.512 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.14 19.44 0.56 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.65 0.09 57.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 60.33 44.96 11.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.705 173.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.631 HD21 ' H ' ' A' ' 104' ' ' LEU . 1.3 pt? -97.62 21.76 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -69.5 103.08 1.95 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.131 0.491 . . . . 0.0 110.152 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.77 -9.54 3.96 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.73 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.452 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.3 105.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -84.78 92.86 8.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.006 -175.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.95 112.54 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.59 114.62 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.176 0.513 . . . . 0.0 111.524 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.03 -61.77 1.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.952 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -100.78 124.17 46.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.137 0.494 . . . . 0.0 111.624 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.97 123.46 25.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.189 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -69.6 -29.6 67.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 109.798 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -95.43 124.66 39.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.874 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.419 176.068 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 52' ' ' ILE . 30.6 mtt85 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 55' ' ' LEU . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.49 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 68' ' ' GLU . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 55.4 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.569 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.44 HG13 HG22 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' SD ' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.4 ' HE3' ' HG2' ' A' ' 32' ' ' GLN . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 38' ' ' ARG . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.631 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HG21 ' A' ' 16' ' ' VAL . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.559 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.581 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.531 HG21 ' HE1' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.704 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD3' HD23 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG2' ' HE ' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HE ' ' HG2' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.697 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.72 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' ILE . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.438 HG23 HG23 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.112 0.482 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.625 HG21 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.628 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.657 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.628 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.489 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.619 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.619 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.625 ' CE ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.53 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.66 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HG ' HD11 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.722 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.525 HG23 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.722 ' HD2' HD13 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.642 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HD3' HD12 ' A' ' 96' ' ' ILE . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.549 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.584 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.888 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.888 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.684 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 100' ' ' PRO . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.667 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.881 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.895 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.895 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.684 HD21 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 99' ' ' ASN . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.4 HG23 HG23 ' A' ' 52' ' ' ILE . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 84' ' ' THR . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.785 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.785 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 55' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 ' HE1' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.512 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.592 ' HE1' HD13 ' A' ' 60' ' ' LEU . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.522 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.553 HG21 ' HE1' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD11 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.466 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 57' ' ' THR . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.491 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD13 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.555 ' HB3' HD13 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.555 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.728 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.572 ' HE3' HG21 ' A' ' 52' ' ' ILE . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.084 0.468 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.443 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.557 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.421 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 64' ' ' ILE . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 93' ' ' GLN . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.623 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.567 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' HG ' HD11 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.54 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HD13 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.601 HD23 HD12 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.509 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.509 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 HD23 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.627 ' HB2' HD21 ' A' ' 99' ' ' ASN . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.627 HD21 ' HB2' ' A' ' 88' ' ' ARG . 37.3 t-20 -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.6 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.81 0.338 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.48 HG21 ' HE1' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.524 ' HE3' HG21 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 100' ' ' PRO . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HD3' HD12 ' A' ' 96' ' ' ILE . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.041 0.448 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.513 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.501 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.688 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.575 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD12 HD23 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' ILE . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 67' ' ' ILE . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 11' ' ' ARG . 18.6 ttm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG21 ' HE1' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.403 ' CD2' HG12 ' A' ' 86' ' ' ILE . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.402 ' HE3' ' HG3' ' A' ' 32' ' ' GLN . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' A' ' 27' ' ' TRP . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' HD11 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.603 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.755 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 20' ' ' TRP . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.583 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.696 ' HE1' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 97' ' ' ARG . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' HG2' ' A' ' 87' ' ' MET . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.711 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.807 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.807 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HA ' HG23 ' A' ' 62' ' ' VAL . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 97.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.711 ' SD ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TRP . . . . . 0.414 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.524 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.604 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.7 mtm105 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.982 0.42 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG21 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' ALA . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HB3' HD21 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 50' ' ' LYS . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.525 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.525 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HE3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.413 HG23 HD22 ' A' ' 99' ' ' ASN . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.576 ' HE3' ' HB1' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.572 ' CE ' HG21 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.413 HD22 HG23 ' A' ' 84' ' ' THR . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.592 HG21 ' CE ' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.628 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.628 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.772 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.772 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.853 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.853 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.592 ' CE ' HG21 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.559 HD12 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HD3' HD12 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' SD ' ' A' ' 87' ' ' MET . . . . . . . . 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.604 HG21 ' HE1' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.592 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.562 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 51' ' ' ASP . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.604 ' HE1' HG21 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.524 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.517 HG21 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 9.0 mm100 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HD3' HG23 ' A' ' 75' ' ' ILE . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 39' ' ' LEU . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.525 ' HB2' HD12 ' A' ' 43' ' ' LEU . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.535 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 96' ' ' ILE . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.517 ' CE ' HG21 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.671 0.272 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.802 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 17.5 m -69.26 -10.14 56.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.17 -29.94 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -86.04 -21.15 27.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.459 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.42 156.4 39.52 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -77.96 -24.4 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.141 0.496 . . . . 0.0 110.218 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 10' ' ' THR . 19.6 ttt180 -141.29 122.84 15.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.556 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 6.0 m-20 -56.86 -56.89 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.891 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -97.27 84.21 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.469 . . . . 0.0 110.246 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -111.41 156.68 21.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.639 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 52' ' ' ILE . 30.6 mtt85 60.27 26.96 16.46 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 55' ' ' LEU . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.49 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 68' ' ' GLU . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 55.4 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.569 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.44 HG13 HG22 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.35 69.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 22.4 m-85 -87.59 -33.99 18.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.508 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.18 -48.08 77.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.365 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.6 103.02 4.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.447 0.642 . . . . 0.0 110.54 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.59 -0.95 16.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.63 12.1 63.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -170.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.41 -50.24 74.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.725 -0.737 . . . . 0.0 111.013 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 110' ' ' LYS . 19.7 t -95.37 131.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.978 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.33 12.96 10.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.219 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.602 ' H ' HG12 ' A' ' 108' ' ' VAL . 94.5 mttt -129.84 -171.81 2.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.533 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.24 2.3 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.479 0.657 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.8 169.94 8.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.657 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -96.81 -5.07 39.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.064 0.459 . . . . 0.0 110.157 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -123.2 145.32 48.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.267 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -84.97 -39.02 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.11 128.08 55.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.764 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -73.5 -36.66 65.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.006 0.431 . . . . 0.0 110.127 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 168.611 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 92.7 mttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 14.4 p -80.8 -0.32 38.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.61 -36.76 17.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -79.19 -40.6 30.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.661 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 54.4 mt-10 -65.75 133.39 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.035 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.14 -26.76 62.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 0.0 110.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -104.5 104.16 13.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.379 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 15' ' ' THR . 45.3 t-20 -77.4 121.95 24.5 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -92.28 -8.59 44.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.105 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -104.55 101.54 11.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.939 0.4 . . . . 0.0 111.123 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 -83.88 62.93 7.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.736 HG22 HD21 ' A' ' 8' ' ' ASN . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' SD ' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.4 ' HE3' ' HG2' ' A' ' 32' ' ' GLN . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 38' ' ' ARG . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.631 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HG21 ' A' ' 16' ' ' VAL . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.559 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.581 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -8.97 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -104.8 -37.16 7.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.336 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 15.87 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.063 -176.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.6 -18.2 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.91 20.38 12.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.845 173.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.08 27.22 73.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.901 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.38 -18.69 54.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.859 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.3 m -72.23 134.26 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -93.72 -6.74 45.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.284 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.97 1.81 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.6 tp -138.88 163.29 32.68 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.61 128.23 35.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.47 -29.17 67.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -136.71 97.39 3.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.993 0.425 . . . . 0.0 110.23 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -104.95 117.77 34.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.65 152.91 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 118' ' ' HIS . 5.7 t60 -54.47 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.402 0.439 . . . . 0.0 110.157 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 117' ' ' HIS . 79.0 t60 . . . . . 0 C--O 1.249 1.035 0 O-C-N 123.916 0.76 . . . . 0.0 109.025 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.599 0.237 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -74.78 123.18 24.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 m -120.01 142.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.882 0.372 . . . . 0.0 111.024 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -107.46 133.48 51.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.243 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -77.45 22.88 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -90.13 -7.39 53.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.899 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -74.67 -63.86 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.572 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.62 152.75 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.53 96.79 6.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.8 m -82.79 140.26 33.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 -87.61 25.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.531 HG21 ' HE1' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.704 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD3' HD23 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG2' ' HE ' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HE ' ' HG2' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.697 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.72 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' ILE . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.438 HG23 HG23 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.769 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.96 16.52 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.769 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 35.8 t80 -96.16 -44.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.075 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.84 -3.29 24.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.701 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -79.69 -18.01 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.376 . . . . 0.0 110.795 177.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 104' ' ' LEU . 45.6 tt0 -81.6 99.77 9.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.7 -8.22 8.25 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.68 126.96 31.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.603 ' HA ' ' HB2' ' A' ' 111' ' ' LEU . 27.2 m -71.15 2.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 111.882 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.29 -34.08 76.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.728 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -122.42 24.68 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.876 0.846 . . . . 0.0 109.611 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' A' ' 108' ' ' VAL . 85.0 mt -113.75 56.73 0.7 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.085 173.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -61.12 147.01 45.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.71 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -77.66 -27.56 50.98 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.81 99.5 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.416 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.91 111.93 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -82.61 144.78 30.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 0.0 111.515 -171.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -104.29 -6.94 20.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.758 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.19 179.72 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.738 0.304 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -98.53 103.28 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.42 161.83 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.6 -55.83 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.133 0.492 . . . . 0.0 109.782 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mm-40 -118.67 147.9 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.923 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.62 -33.98 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' O ' HG21 ' A' ' 15' ' ' THR . 74.4 mtp85 -73.75 -4.97 37.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.662 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 5' ' ' GLU . 4.1 m-20 -71.09 -12.2 61.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 0.0 109.853 175.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.37 -38.89 40.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.735 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -74.46 119.24 18.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.191 0.52 . . . . 0.0 110.765 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 -95.89 34.18 1.57 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.316 -172.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 7' ' ' ARG . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.625 HG21 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.628 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.657 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.628 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.619 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.625 ' CE ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.53 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.13 69.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -80.32 -19.62 46.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.498 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.64 -24.19 65.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.919 -173.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 61' ' ' LEU . 82.0 mt -70.55 -28.65 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 66.29 -56.4 0.38 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.566 0.746 . . . . 0.0 112.049 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.11 46.52 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.96 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.17 132.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.488 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.4 179.81 5.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.99 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.42 -26.41 66.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 tp -75.45 -19.24 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -103.83 162.68 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.409 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -137.04 175.93 9.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.541 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.93 -21.44 57.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.924 0.392 . . . . 0.0 110.597 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -116.98 97.24 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.167 173.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.85 89.92 7.68 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.37 137.31 50.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.978 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.001 176.837 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -82.51 153.23 25.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.94 -47.72 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -136.06 124.57 23.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.888 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -95.56 -162.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -86.48 28.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 110.998 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -97.3 177.09 5.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.988 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -141.94 108.1 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.827 0.346 . . . . 0.0 110.483 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -73.73 89.22 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.519 . . . . 0.0 110.07 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -72.78 138.49 46.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.011 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 -77.26 35.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.66 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HG ' HD11 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.515 ' OG1' ' HG ' ' A' ' 104' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.722 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.525 HG23 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.722 ' HD2' HD13 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.642 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.636 ' HA ' HD21 ' A' ' 104' ' ' LEU . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.66 2.82 10.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 99' ' ' ASN . 24.0 m-85 -87.05 2.82 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.57 97.94 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.001 0.813 . . . . 0.0 110.668 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 100' ' ' PRO . 6.5 mt -75.38 -23.74 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.115 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.28 33.06 19.22 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.244 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.21 -6.94 58.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.459 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 63.3 -164.12 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.171 0.588 . . . . 0.0 111.555 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.3 m -89.16 144.23 9.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -76.44 -37.75 56.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.635 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -102.18 100.36 10.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.425 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.37 166.39 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.039 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -68.04 -47.9 67.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.844 179.179 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -101.68 120.48 40.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.71 -35.74 19.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.05 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -88.4 112.77 23.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.4 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -80.71 112.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 0.0 110.152 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -100.67 168.42 9.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.069 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.7 t60 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.524 174.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -83.58 -62.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.337 0.589 . . . . 0.0 109.913 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.83 177.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.949 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 68.64 20.65 8.2 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.698 0.624 . . . . 0.0 111.414 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.42 13.12 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.631 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -142.31 62.29 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.022 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -88.14 114.17 24.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 -84.26 148.51 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.396 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.23 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 p -97.49 136.46 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.245 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 -83.73 60.72 5.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.549 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.539 HG21 HD23 ' A' ' 104' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.584 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.888 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.888 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.684 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 100' ' ' PRO . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.1 89.93 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.52 -47.17 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.864 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.74 -20.22 59.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 -171.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 57' ' ' THR . 2.8 tm? -55.89 -42.97 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.175 0.512 . . . . 0.0 110.173 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.0 6.1 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.855 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.56 9.16 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.15 -23.05 59.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 111.119 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.1 144.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.472 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 61.04 86.13 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.328 0.585 . . . . 0.0 110.679 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.62 115.42 29.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.538 . . . . 0.0 111.048 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.37 140.02 30.41 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 150.31 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.716 -0.394 . . . . 0.0 109.995 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -63.86 -27.59 69.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.849 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -98.29 107.27 19.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.17 69.5 1.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 111.627 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -140.25 -8.62 1.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.702 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -136.36 121.94 19.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.134 0.492 . . . . 0.0 111.841 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.633 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.815 0.341 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -146.09 112.06 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.117 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.18 179.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -101.96 9.92 40.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.645 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.03 162.4 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.281 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.29 -23.38 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.091 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 40.7 ttt-85 -62.67 -28.79 70.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.58 87.83 7.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.391 0.615 . . . . 0.0 109.43 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.07 106.65 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -83.92 21.55 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.46 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 -116.6 19.49 14.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.268 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.667 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.881 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.895 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.895 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.684 HD21 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 99' ' ' ASN . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.4 HG23 HG23 ' A' ' 52' ' ' ILE . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 84' ' ' THR . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.5 66.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.39 -30.23 11.58 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.33 -50.0 74.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.014 0.435 . . . . 0.0 110.209 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 57' ' ' THR . 45.3 tp -81.67 -30.05 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.235 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 65.3 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.836 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.89 27.79 0.35 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.54 108.74 8.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 0.0 110.511 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.42 109.03 20.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.935 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -68.3 -45.48 72.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -104.67 96.09 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.59 -42.96 99.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.678 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.66 97.19 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.221 0.534 . . . . 0.0 110.175 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.14 111.43 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.284 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -95.77 114.72 26.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.648 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.27 -33.18 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.353 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -81.81 82.98 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -81.43 113.12 19.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.878 -176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.1 t60 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.169 170.43 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -146.1 157.95 43.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.79 -51.88 8.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.132 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.19 167.65 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.165 0.507 . . . . 0.0 111.303 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 8' ' ' ASN . 2.4 mm-40 -86.35 162.06 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.676 -175.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -80.36 -38.14 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -81.21 -7.23 59.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' H ' ' HB3' ' A' ' 5' ' ' GLU . 5.3 t30 59.08 71.03 0.61 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.658 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -90.67 112.9 24.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.645 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -141.18 125.07 17.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 -80.9 61.65 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.785 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.785 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 55' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 ' HE1' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.512 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.592 ' HE1' HD13 ' A' ' 60' ' ' LEU . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.522 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.491 HD22 ' CB ' ' A' ' 87' ' ' MET . 7.2 m120 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.548 ' HA ' ' HB2' ' A' ' 103' ' ' ASP . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.58 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -121.32 16.71 11.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.279 0.561 . . . . 0.0 110.113 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 100' ' ' PRO . 26.8 t70 -66.89 -14.48 62.8 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.445 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' GLU . 12.0 mt -73.01 -10.09 59.43 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.419 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 104' ' ' LEU . 39.9 tt0 72.59 -58.77 0.58 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.564 0.746 . . . . 0.0 111.051 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.1 42.02 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.025 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.18 -19.35 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.378 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.31 93.61 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.131 0.491 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -119.56 156.65 29.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -94.21 -6.55 44.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.74 -32.15 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.243 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 115' ' ' HIS . 17.4 tt0 -113.02 108.28 17.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -63.22 -34.84 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.12 -170.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -137.6 97.56 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.597 ' HA ' ' OE2' ' A' ' 112' ' ' GLU . 3.5 t60 -53.79 126.13 20.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.669 -176.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . 0.454 ' O ' ' HD2' ' A' ' 115' ' ' HIS . 95.9 m-70 -66.6 139.43 57.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.001 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -84.61 1.69 44.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.776 179.314 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -86.84 163.76 17.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.229 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.59 -62.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.254 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -88.71 128.86 35.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.398 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.62 157.1 38.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.89 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -76.85 -43.89 34.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 52.15 68.01 0.88 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.364 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.97 104.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.015 0.436 . . . . 0.0 109.866 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -101.65 111.95 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.876 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 p -94.0 168.47 10.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -82.5 56.96 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG21 ' HE1' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD11 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.466 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD21 HD22 ' A' ' 104' ' ' LEU . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD13 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.555 ' HB3' HD13 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.555 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.728 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.572 ' HE3' HG21 ' A' ' 52' ' ' ILE . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.69 -12.43 61.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -81.84 -25.6 35.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.094 0.474 . . . . 0.0 110.028 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.03 -33.84 74.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.429 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 61' ' ' LEU . 4.4 pp -79.93 -7.75 58.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.6 -17.69 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.99 -18.64 79.22 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.36 111.41 4.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 m -93.6 145.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.279 0.561 . . . . 0.0 111.809 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.52 -28.91 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -118.1 125.96 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.099 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -98.92 137.73 37.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.774 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.78 136.64 41.67 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -55.91 -54.42 44.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.027 0.441 . . . . 0.0 110.909 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -112.17 136.15 51.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -83.92 25.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -170.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 67.73 -76.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.473 0.709 . . . . 0.0 111.351 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.31 -29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.832 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.106 -176.531 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -81.65 70.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.236 0.541 . . . . 0.0 110.394 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -105.79 -172.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.198 -173.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -81.44 -34.64 31.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.677 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -62.42 -31.27 71.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.69 -172.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.29 5.4 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.709 0.29 . . . . 0.0 111.343 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 7' ' ' ARG . 56.6 mtt-85 -91.45 -20.23 21.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 0.0 110.138 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -111.63 84.06 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.763 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.04 83.18 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 p -80.35 157.27 26.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -91.63 27.09 2.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.052 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.443 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.557 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.421 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 64' ' ' ILE . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 93' ' ' GLN . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.46 -17.82 60.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -106.01 3.83 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.37 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -167.98 106.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.591 0.71 . . . . 0.0 110.511 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HA ' HG21 ' A' ' 57' ' ' THR . 21.8 mt -76.81 -14.47 59.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.595 177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 66.39 -61.43 0.3 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.766 0.826 . . . . 0.0 111.18 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.15 53.5 0.21 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.325 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.79 -61.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.268 0.556 . . . . 0.0 109.926 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.08 -177.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 35.0 tt0 65.14 13.91 9.03 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.47 0.652 . . . . 0.0 110.795 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.18 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.972 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.97 14.18 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.7 145.14 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.838 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -66.12 -22.78 66.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.629 -170.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.46 -24.5 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.872 0.368 . . . . 0.0 110.092 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -103.61 123.1 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.28 168.09 10.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -88.71 -62.79 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.841 176.338 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -145.7 148.8 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.255 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 m -124.9 111.97 30.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -105.43 167.77 9.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.739 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.05 -57.22 13.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.594 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? 52.79 50.76 17.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 110.995 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -86.04 -173.46 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.704 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -144.79 -179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.127 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -85.61 118.66 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.686 0.279 . . . . 0.0 110.353 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -115.88 126.79 54.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.4 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 62.26 11.04 4.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.567 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' HG ' HD11 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.54 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HD13 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.601 HD23 HD12 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.509 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.509 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 HD23 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.627 ' HB2' HD21 ' A' ' 99' ' ' ASN . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.627 HD21 ' HB2' ' A' ' 88' ' ' ARG . 37.3 t-20 -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.6 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 -15.05 63.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -98.27 -23.38 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.975 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD2' ' HA ' ' A' ' 100' ' ' PRO . 19.9 m-20 -61.88 -33.23 73.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.691 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.78 -29.31 69.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.63 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 67.63 -61.7 0.36 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 124.028 0.83 . . . . 0.0 110.844 -173.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.68 22.87 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.581 ' HA ' ' HG2' ' A' ' 110' ' ' LYS . . . -86.23 14.51 6.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 -176.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.96 -29.42 46.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -109.43 14.8 23.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.272 0.558 . . . . 0.0 110.179 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' A' ' 107' ' ' ALA . 33.7 mmtp -98.29 116.82 31.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.38 119.75 22.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.32 125.49 23.96 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.388 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -79.97 80.97 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.075 0.464 . . . . 0.0 110.162 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.05 135.05 44.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.153 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -71.15 105.68 3.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.169 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -82.01 90.43 6.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.872 -173.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -89.47 -45.69 9.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 169.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.626 174.388 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.045 0.45 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.579 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 16.7 p -65.61 -31.84 73.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.034 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.87 -25.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.6 17.1 17.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.95 0.405 . . . . 0.0 110.171 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -142.91 174.1 10.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.672 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -95.8 8.8 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 0.0 111.526 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -102.4 100.27 10.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 2' ' ' SER . 54.0 t30 61.89 85.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.108 0.88 . . . . 0.0 112.542 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -110.2 131.4 55.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 12' ' ' ALA . 24.8 m -117.13 127.41 54.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 -84.97 14.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.332 -176.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 10' ' ' THR . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.48 HG21 ' HE1' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.524 ' HE3' HG21 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 100' ' ' PRO . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HD3' HD12 ' A' ' 96' ' ' ILE . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.66 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -72.19 -13.82 61.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.784 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.87 -30.77 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 57' ' ' THR . 4.4 mm? -57.1 -48.3 78.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 40.7 mt-10 -81.11 8.65 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.817 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.0 -16.09 29.11 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.491 -0.643 . . . . 0.0 111.491 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.66 159.02 26.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.668 0.27 . . . . 0.0 110.81 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.48 -15.51 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.391 . . . . 0.0 111.119 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.21 -17.54 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.294 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 105' ' ' GLU . 68.4 mmtt -96.62 5.26 51.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.158 0.504 . . . . 0.0 110.878 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.8 tp -91.23 -26.36 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -78.24 142.95 37.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.725 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -97.08 76.43 2.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.344 0.593 . . . . 0.0 110.031 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -107.75 -17.82 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.625 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.94 147.49 46.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -78.54 -34.81 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.339 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.53 -67.88 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.633 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.803 0.335 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 14.7 m -112.08 151.97 28.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.34 -45.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.114 0.483 . . . . 0.0 110.101 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.88 -80.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 2' ' ' SER . 39.7 mt-10 -81.14 107.53 14.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.287 0.565 . . . . 0.0 109.798 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -81.95 10.74 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.699 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 7' ' ' ARG . 31.6 ttp85 -142.1 108.6 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 170.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -71.76 107.02 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -104.59 101.3 10.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -77.93 140.27 39.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 69.26 24.09 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.77 0.669 . . . . 0.0 110.495 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.501 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.688 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.575 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD12 HD23 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' ILE . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 67' ' ' ILE . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -14.75 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -98.87 0.62 44.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.771 0.32 . . . . 0.0 110.533 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.7 -35.94 22.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.018 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 104' ' ' LEU . 1.1 pt? -92.68 102.23 14.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 111.44 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.51 -13.33 12.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.881 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.78 11.17 27.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.384 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.76 0.16 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.958 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.14 131.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.181 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.02 -42.44 69.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.022 0.439 . . . . 0.0 111.301 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -75.27 153.45 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 118' ' ' HIS . 21.8 mt -92.18 159.39 15.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.778 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.769 ' HB2' ' HD2' ' A' ' 115' ' ' HIS . 43.8 mt-10 -77.87 139.24 39.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.65 71.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.344 0.593 . . . . 0.0 110.65 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -175.51 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.735 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 112' ' ' GLU . 38.0 m-70 -96.58 176.63 5.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 -177.137 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -121.81 -20.31 6.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.693 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.47 -63.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.961 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . 0.766 ' HA ' HD22 ' A' ' 111' ' ' LEU . 3.2 t-160 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.303 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' A' ' 5' ' ' GLU . 52.6 mttp . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -65.53 -55.01 20.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 5' ' ' GLU . 22.1 m -73.47 153.33 7.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.028 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.43 -28.17 63.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' OE2' ' HG3' ' A' ' 1' ' ' LYS . 43.1 mt-10 57.02 -153.45 0.37 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.377 0.423 . . . . 0.0 110.76 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.66 31.45 21.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 111.316 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 7' ' ' ARG . 60.2 mtt180 -136.72 150.45 48.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.637 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.4 -35.53 63.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.094 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.65 18.21 11.29 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 177.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 p -84.16 15.22 3.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.606 0.717 . . . . 0.0 111.702 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 11' ' ' ARG . 18.6 ttm180 -150.42 21.01 0.84 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.038 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG21 ' HE1' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' CD2' HG12 ' A' ' 86' ' ' ILE . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.402 ' HE3' ' HG3' ' A' ' 32' ' ' GLN . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' A' ' 27' ' ' TRP . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' HD11 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.603 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.514 HG21 ' HB2' ' A' ' 104' ' ' LEU . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.755 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 20' ' ' TRP . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.583 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.696 ' HE1' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 97' ' ' ARG . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' HG2' ' A' ' 87' ' ' MET . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.99 10.85 8.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -98.55 19.39 14.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 60.28 83.62 0.14 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.748 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.514 ' HB2' HG21 ' A' ' 57' ' ' THR . 4.3 mm? -69.0 -42.07 76.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.61 -0.18 12.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.6 -3.89 54.99 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 175.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.12 111.39 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.039 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.91 134.21 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 110.794 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -108.42 166.98 10.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.979 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -103.96 144.11 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.2 mt -75.37 -33.93 61.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.34 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 70.85 -51.56 0.68 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.989 0.806 . . . . 0.0 111.054 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.75 147.15 41.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 68.1 26.41 7.19 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.544 0.527 . . . . 0.0 110.066 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -137.14 113.2 9.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.351 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -105.19 170.43 7.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.33 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -91.1 -32.31 15.9 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.29 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -91.85 119.08 31.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.23 -174.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -109.47 152.31 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.112 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -114.08 135.84 53.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.492 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 7' ' ' ARG . 9.0 tp10 -76.91 142.42 40.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.689 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -107.15 -6.41 17.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.712 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 43.8 ttt180 -113.53 94.27 4.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -83.65 122.58 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.211 -170.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -122.79 101.46 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 171.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.88 143.11 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.834 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -84.03 62.9 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.711 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.807 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.807 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HA ' HG23 ' A' ' 62' ' ' VAL . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 97.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.711 ' SD ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -29.5 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -75.84 -37.14 59.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.024 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.97 -18.61 55.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.7 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 104' ' ' LEU . 1.1 tm? -72.41 -45.5 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.4 -30.31 68.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.187 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.09 -2.79 79.67 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.752 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.41 -25.08 63.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.462 0.649 . . . . 0.0 109.472 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.0 t -111.19 121.16 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.976 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -70.14 -32.75 70.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.788 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 61.86 -163.65 0.26 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.083 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -153.95 -32.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.53 171.83 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -139.02 179.6 6.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.985 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.32 -40.54 81.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -165.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.08 19.77 15.48 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.688 -170.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -115.42 75.48 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.51 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -139.65 -32.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.064 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.088 176.317 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -126.45 162.83 24.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.36 -34.96 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 110.392 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -119.22 132.75 55.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.378 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.98 137.02 34.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.07 0.462 . . . . 0.0 110.671 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -66.91 -23.54 66.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.01 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.01 104.97 7.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.347 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -78.35 107.74 11.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -79.42 102.78 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.07 0.462 . . . . 0.0 111.095 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m -68.13 142.91 55.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.48 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 -81.55 20.2 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TRP . . . . . 0.414 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.524 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.604 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.05 -35.51 59.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -71.22 -8.56 54.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.253 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.55 -32.55 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.086 0.47 . . . . 0.0 109.784 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -80.15 -39.56 29.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.019 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.62 8.8 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.268 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.13 30.56 0.98 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.09 150.16 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.979 0.419 . . . . 0.0 111.708 -175.062 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 110' ' ' LYS . 37.7 t -98.04 119.33 45.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.175 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -72.47 -10.01 59.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.647 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 108' ' ' VAL . 65.6 mttm -70.76 -17.62 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -177.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.6 mt -110.56 14.53 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' OE1' ' HB2' ' A' ' 114' ' ' HIS . 6.4 tm-20 -83.6 146.36 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.836 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -65.66 -43.87 88.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.436 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 96.6 m-70 -68.49 -20.43 64.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.03 0.443 . . . . 0.0 110.603 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.66 -5.47 56.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.265 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.36 -166.24 1.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.25 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -102.95 -55.77 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 23.7 m170 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.845 175.45 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.1 mttm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -72.17 -3.76 25.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.767 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.55 -31.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.348 0.594 . . . . 0.0 110.086 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -135.57 116.99 14.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.276 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.81 147.74 18.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -174.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.53 178.7 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.661 -174.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -86.56 -37.32 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.471 . . . . 0.0 110.251 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -98.46 90.68 4.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.726 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 t -127.98 151.68 48.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.49 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.7 mtm105 57.63 21.56 7.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 -175.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG21 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' ALA . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HB3' HD21 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 50' ' ' LYS . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 104' ' ' LEU . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.525 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.525 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HB3' ' HE3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HE3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.413 HG23 HD22 ' A' ' 99' ' ' ASN . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.576 ' HE3' ' HB1' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.572 ' CE ' HG21 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.68 61.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 14.6 t80 -82.85 -30.93 28.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.69 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.93 -13.85 59.56 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.564 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -62.97 -44.49 95.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.66 3.57 32.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.53 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.42 -14.74 79.68 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.96 100.73 13.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.48 105.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.728 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -79.95 -167.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.937 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -90.76 -36.0 14.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 24.6 tp 56.27 40.05 30.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.955 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.28 120.3 11.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -68.85 -28.08 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -83.39 88.14 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 170.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -77.29 93.47 4.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.933 0.397 . . . . 0.0 110.128 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -107.65 101.81 11.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.157 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -92.34 158.34 16.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.041 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.245 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -84.31 116.26 22.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 m -77.43 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -116.51 122.46 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.557 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -88.6 132.14 34.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.9 -28.95 64.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.62 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -142.55 154.93 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.526 ' ND2' HG22 ' A' ' 16' ' ' VAL . 17.9 t-20 -79.67 151.65 30.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.894 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -90.93 -50.48 5.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.355 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 p -126.63 137.56 53.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.945 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -84.13 14.3 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.592 HG21 ' CE ' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.628 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.772 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.772 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.853 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.853 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.592 ' CE ' HG21 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.559 HD12 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HD3' HD12 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' SD ' ' A' ' 87' ' ' MET . . . -99.16 10.9 40.51 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' TYR . . . . . 0.719 ' O ' HD22 ' A' ' 104' ' ' LEU . 22.4 m-85 -79.24 121.73 25.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 166.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.88 61.93 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.948 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -56.1 -60.31 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 177.403 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.61 -67.59 0.18 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.934 0.771 . . . . 0.0 110.925 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.42 41.74 0.28 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.62 -174.99 4.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.6 t -62.96 -39.03 83.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.494 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -75.31 93.09 2.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.211 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -101.86 116.42 32.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.907 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.44 118.49 15.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.63 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.13 120.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.019 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -77.94 127.6 32.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.26 -175.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.51 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -106.3 -12.63 15.63 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -131.86 125.24 31.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.785 170.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 m170 65.72 90.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.735 0.647 . . . . 0.0 110.153 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.228 -175.125 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.734 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 27.5 p -81.6 96.54 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.667 0.746 . . . . 0.0 112.024 -169.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 m -106.42 130.63 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.228 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 56.88 78.02 0.24 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.562 0.696 . . . . 0.0 109.375 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 2' ' ' SER . 34.5 mt-10 -83.84 152.12 24.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.352 -169.11 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.47 -54.25 18.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -114.67 141.94 47.14 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 166.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 84.8 m-20 -71.33 80.99 0.75 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.837 0.827 . . . . 0.0 109.609 176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.94 82.99 1.39 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.672 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' ALA . 15.9 m -69.43 116.33 9.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.083 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -84.97 14.2 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.604 HG21 ' HE1' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.592 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.562 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 51' ' ' ASP . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.537 HG21 HD23 ' A' ' 104' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.604 ' HE1' HG21 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.0 m-80 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 103' ' ' ASP . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.16 68.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -98.69 -30.54 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' PRO . 15.8 m-20 -67.17 -21.02 65.82 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.334 175.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 57' ' ' THR . 2.9 tm? -59.86 -44.14 94.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.43 -15.6 61.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.393 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.02 -13.75 83.35 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.346 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.03 99.2 11.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.2 t -69.82 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.749 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -65.46 -37.36 86.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.326 0.584 . . . . 0.0 109.97 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.76 97.53 8.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.15 50.69 0.63 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -167.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 66.14 -78.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.05 155.32 22.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.368 0.604 . . . . 0.0 112.051 -168.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -106.27 96.14 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.61 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.25 -37.18 69.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -93.11 110.64 22.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -88.17 179.17 6.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.951 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.068 0.855 . . . . 0.0 110.797 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.648 0.261 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -78.15 -40.46 37.87 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -171.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.35 -34.36 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 110.899 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -98.42 -165.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.408 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -92.81 113.53 25.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.766 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -58.96 -31.5 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.817 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -112.14 119.45 38.45 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -79.23 50.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.615 0.722 . . . . 0.0 111.1 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -102.5 -37.09 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.535 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -91.59 136.82 32.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.099 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 65.34 3.02 2.13 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.283 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.517 HG21 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 9.0 mm100 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HD3' HG23 ' A' ' 75' ' ' ILE . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 39' ' ' LEU . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.525 ' HB2' HD12 ' A' ' 43' ' ' LEU . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 96' ' ' ILE . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.517 ' CE ' HG21 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.14 19.44 0.56 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.65 0.09 57.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 60.33 44.96 11.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.705 173.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.685 HD23 ' H ' ' A' ' 104' ' ' LEU . 1.3 pt? -97.62 21.76 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -69.5 103.08 1.95 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.131 0.491 . . . . 0.0 110.152 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.77 -9.54 3.96 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.73 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.452 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.3 105.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -84.78 92.86 8.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.006 -175.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.95 112.54 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.59 114.62 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.176 0.513 . . . . 0.0 111.524 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.03 -61.77 1.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.952 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -100.78 124.17 46.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.137 0.494 . . . . 0.0 111.624 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.97 123.46 25.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.189 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -69.6 -29.6 67.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 109.798 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -95.43 124.66 39.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.874 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.419 176.068 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 52' ' ' ILE . 30.6 mtt85 . . . . . 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 55' ' ' LEU . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.49 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 68' ' ' GLU . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.672 ' HA ' HE21 ' A' ' 92' ' ' GLN . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' A' ' 89' ' ' TYR . 47.6 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.569 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.44 HG13 HG22 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.439 ' N ' ' HG3' ' A' ' 14' ' ' LYS . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' SD ' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.4 ' HE3' ' HG2' ' A' ' 32' ' ' GLN . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 38' ' ' ARG . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.631 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.408 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HG21 ' A' ' 16' ' ' VAL . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.559 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' MET . 16.2 m120 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.581 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 . . . . . 0 CA--C 1.522 -0.116 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.531 HG21 ' HE1' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.704 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD3' HD23 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG2' ' HE ' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HE ' ' HG2' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.697 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.72 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' ILE . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.438 HG23 HG23 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.112 0.482 . . . . 0.0 111.316 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.438 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.625 HG21 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.5 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.628 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.657 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.628 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.489 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.491 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.619 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.619 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.625 ' CE ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.53 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 . . . . . 0 CA--C 1.531 0.244 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.66 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HG ' HD11 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.495 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.722 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.525 HG23 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.722 ' HD2' HD13 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.642 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.463 ' HD3' HD12 ' A' ' 96' ' ' ILE . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.549 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.483 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.584 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.888 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.888 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.684 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 100' ' ' PRO . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 . . . . . 0 N--CA 1.454 -0.242 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.667 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.881 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.895 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.895 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.684 HD21 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 99' ' ' ASN . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.4 HG23 HG23 ' A' ' 52' ' ' ILE . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 84' ' ' THR . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.569 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.785 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.785 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 55' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 ' HE1' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.512 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.592 ' HE1' HD13 ' A' ' 60' ' ' LEU . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.522 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.491 HD22 ' CB ' ' A' ' 87' ' ' MET . 7.2 m120 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.522 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.553 HG21 ' HE1' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.555 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.551 HD11 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.466 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 57' ' ' THR . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.491 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.492 HD13 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.555 ' HB3' HD13 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.555 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.728 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.572 ' HE3' HG21 ' A' ' 52' ' ' ILE . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 . . . . . 0 N--CA 1.452 -0.365 0 CA-C-O 121.084 0.468 . . . . 0.0 110.052 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.443 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.557 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.421 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 64' ' ' ILE . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 93' ' ' GLN . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 . . . . . 0 N--CA 1.467 0.409 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.623 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.567 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.619 ' HG ' HD11 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.54 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HD13 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.601 HD23 HD12 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.509 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.509 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 HD23 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.6 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.81 0.338 . . . . 0.0 111.332 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.48 HG21 ' HE1' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.672 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.495 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.524 ' HE3' HG21 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 100' ' ' PRO . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HD3' HD12 ' A' ' 96' ' ' ILE . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.578 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 . . . . . 0 N--CA 1.46 0.036 0 CA-C-O 121.041 0.448 . . . . 0.0 110.495 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.513 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.501 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.688 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.579 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.575 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.431 HD12 HD23 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' ILE . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 67' ' ' ILE . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 11' ' ' ARG . 18.6 ttm180 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.696 HG21 ' HE1' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.403 ' CD2' HG12 ' A' ' 86' ' ' ILE . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.402 ' HE3' ' HG3' ' A' ' 32' ' ' GLN . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' A' ' 27' ' ' TRP . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' HD11 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.603 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.755 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 20' ' ' TRP . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.583 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.696 ' HE1' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 97' ' ' ARG . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' HG2' ' A' ' 87' ' ' MET . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.711 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.807 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.807 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HA ' HG23 ' A' ' 62' ' ' VAL . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.476 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.514 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 26.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.711 ' SD ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.601 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . 0.414 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.626 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.562 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.524 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.604 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.7 mtm105 . . . . . 0 N--CA 1.469 0.514 0 CA-C-O 120.982 0.42 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.572 HG21 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' ALA . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.599 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.599 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HB3' HD21 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 50' ' ' LYS . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.525 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.525 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HE3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.413 HG23 HD22 ' A' ' 99' ' ' ASN . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.576 ' HE3' ' HB1' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.572 ' CE ' HG21 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.413 HD22 HG23 ' A' ' 84' ' ' THR . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.592 HG21 ' CE ' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.628 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.628 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.772 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.772 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.508 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.853 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.853 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.592 ' CE ' HG21 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.559 HD12 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HD3' HD12 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' SD ' ' A' ' 87' ' ' MET . . . . . . . . 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 . . . . . 0 CA--C 1.527 0.083 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.604 HG21 ' HE1' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.646 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.592 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.562 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 51' ' ' ASP . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.451 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.604 ' HE1' HG21 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.283 0.475 . . . . 0.0 112.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.524 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.517 HG21 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HE3' HE21 ' A' ' 32' ' ' GLN . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.592 HE21 ' HE3' ' A' ' 27' ' ' TRP . 10.3 mm-40 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HD3' HG23 ' A' ' 75' ' ' ILE . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 39' ' ' LEU . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.525 ' HB2' HD12 ' A' ' 43' ' ' LEU . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.535 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 96' ' ' ILE . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.517 ' CE ' HG21 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.4 mttm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.671 0.272 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.802 ' HB3' ' HA ' ' A' ' 8' ' ' ASN . 17.5 m -69.26 -10.14 56.4 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -172.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.17 -29.94 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 177.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -86.04 -21.15 27.9 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.459 177.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -71.42 156.4 39.52 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 170.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -77.96 -24.4 48.13 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.141 0.496 . . . . 0.0 110.218 -178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.666 ' HB3' HG23 ' A' ' 10' ' ' THR . 19.6 ttt180 -141.29 122.84 15.08 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.556 178.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HA ' ' HB3' ' A' ' 2' ' ' SER . 6.0 m-20 -56.86 -56.89 15.79 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.891 -174.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -97.27 84.21 3.44 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.086 0.469 . . . . 0.0 110.246 -177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.666 HG23 ' HB3' ' A' ' 7' ' ' ARG . 0.8 OUTLIER -111.41 156.68 21.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.639 179.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.465 ' O ' HG22 ' A' ' 52' ' ' ILE . 30.6 mtt85 60.27 26.96 16.46 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.107 0.479 . . . . 0.0 110.825 -175.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.528 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -87.97 149.78 23.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.333 178.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -50.99 -43.17 60.62 Favored 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.585 0.553 . . . . 0.0 111.988 -174.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 20.0 pttm -64.4 -35.68 81.69 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 120.849 -0.341 . . . . 0.0 111.683 -177.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 96.7 m -74.33 -38.94 63.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.55 0.69 . . . . 0.0 110.396 178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' HE1' ' A' ' 95' ' ' MET . 49.6 t -70.32 -45.81 73.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.696 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.1 -32.86 73.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.382 174.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 42.6 tptt -61.65 -47.4 85.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.229 0.538 . . . . 0.0 109.567 175.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.6 t -63.89 -41.44 97.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.402 -0.817 . . . . 0.0 110.0 178.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.8 t90 -59.85 -46.01 90.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.332 177.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -60.67 -41.64 95.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.537 177.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.0 -20.86 65.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.555 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.3 m -99.28 4.58 46.58 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.575 0.702 . . . . 0.0 110.368 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 38.7 mmtm -114.89 118.14 32.65 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.647 -179.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -134.9 10.11 3.6 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.593 171.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.8 p -66.74 -41.91 87.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.667 -176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.0 m0 -74.83 169.69 17.41 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.37 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 30.5 p -75.42 153.1 37.87 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.371 179.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -55.4 -47.04 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.981 -175.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.84 -51.92 42.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.423 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.45 ' O ' HG23 ' A' ' 35' ' ' VAL . 54.8 t80 -62.88 -41.41 99.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -66.88 -33.92 76.65 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 121.073 -0.251 . . . . 0.0 110.991 -177.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.2 ttm105 -60.29 -40.7 91.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.037 0.446 . . . . 0.0 110.073 173.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 t -66.06 -39.38 90.06 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.84 177.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.498 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 99.3 t -55.98 -51.08 65.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.149 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.126 174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.7 t-105 -61.92 -41.19 97.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.048 -178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 48.9 m -62.06 -36.21 80.97 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.972 0.415 . . . . 0.0 111.101 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 35.6 mtm180 -75.12 -28.39 60.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.824 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 82.4 mt -70.61 -45.74 64.69 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.614 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 31.2 mm-40 -55.25 -41.95 72.83 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.965 178.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.7 p -87.41 -35.32 18.37 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.268 0.84 . . . . 0.0 113.268 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.73 -48.92 3.15 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -174.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.8 tp -95.01 17.79 13.28 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.828 0.347 . . . . 0.0 111.876 -168.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.614 ' CD2' ' HA ' ' A' ' 40' ' ' GLU . 4.3 m-30 -119.08 -47.59 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 178.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.527 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 83.0 Cg_exo -46.01 -45.97 16.78 Favored 'Trans proline' 0 C--N 1.356 0.972 0 C-N-CA 122.751 2.3 . . . . 0.0 114.198 -172.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -84.49 -62.48 1.54 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.925 0.393 . . . . 0.0 111.569 -175.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.612 HG21 HD23 ' A' ' 60' ' ' LEU . 5.1 pt -79.92 -22.88 11.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -170.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.415 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.74 -25.89 73.95 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.892 -0.671 . . . . 0.0 113.138 -175.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -97.13 1.26 49.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.468 0.651 . . . . 0.0 110.18 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -105.19 149.51 25.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.611 -179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -71.65 113.33 8.58 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.757 -0.831 . . . . 0.0 108.757 170.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.577 HG13 HD12 ' A' ' 55' ' ' LEU . 19.4 tt -61.76 -22.09 27.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.516 -172.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' HA ' ' O ' ' A' ' 95' ' ' MET . . . -60.01 -27.7 67.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.275 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -107.57 7.49 28.73 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.39 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.577 HD12 HG13 ' A' ' 52' ' ' ILE . 24.1 mt -73.13 113.92 10.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.298 0.57 . . . . 0.0 110.487 179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -84.56 167.45 16.29 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.314 -0.857 . . . . 0.0 109.936 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.516 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 22.8 m -52.46 -41.23 63.14 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 173.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.51 -40.74 99.07 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.732 -0.667 . . . . 0.0 112.625 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.404 ' HB3' HD22 ' A' ' 55' ' ' LEU . 6.8 m-20 -58.76 -44.09 90.52 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 120.8 0.333 . . . . 0.0 111.166 -179.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.612 HD23 HG21 ' A' ' 47' ' ' ILE . 29.4 mt -76.3 -27.1 56.45 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.394 0.616 . . . . 0.0 110.767 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.4 mt -71.55 -19.71 62.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.07 177.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.49 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 67.7 t -61.0 -60.24 11.29 Favored Pre-proline 0 CA--C 1.538 0.486 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.01 177.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.49 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.0 -36.41 82.88 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 122.107 1.871 . . . . 0.0 112.45 176.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.8 -51.39 72.62 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.211 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.675 176.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.536 ' HA ' ' HB2' ' A' ' 68' ' ' GLU . 3.5 ttpm? -61.07 -34.71 75.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.248 0.547 . . . . 0.0 110.276 179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 60.3 tttp -54.51 -46.28 73.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.665 177.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 36.4 mt -80.39 -36.89 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.622 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.536 ' HB2' ' HA ' ' A' ' 65' ' ' LYS . 26.8 mm-40 -52.07 -47.29 65.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.326 176.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 90.8 mttt -95.13 8.16 43.87 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.967 0.413 . . . . 0.0 111.245 -178.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 52.9 tp -80.36 -19.79 45.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.33 0.586 . . . . 0.0 109.427 175.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 98.08 19.38 24.07 Favored Glycine 0 N--CA 1.447 -0.597 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.306 179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -130.82 88.81 2.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.122 0.487 . . . . 0.0 110.102 178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 98.1 mt -69.83 -40.76 75.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.575 -0.738 . . . . 0.0 111.455 -174.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -59.96 -46.06 90.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.933 0.396 . . . . 0.0 110.195 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.7 mm -59.87 -47.32 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.376 178.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.55 -47.82 84.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.355 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.534 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 71.7 mtm -63.78 -36.99 85.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.681 0.277 . . . . 0.0 111.292 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -72.15 -42.22 66.19 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.806 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.588 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 75.1 t -64.23 -36.39 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-O 121.041 0.448 . . . . 0.0 109.851 175.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 77' ' ' MET . 43.2 tptt -52.29 -44.79 65.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.325 172.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' ' 77' ' ' MET . 76.5 mm-40 -75.99 -40.96 52.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.235 -177.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.588 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 17.4 m-85 -53.58 -51.69 62.18 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.181 0.515 . . . . 0.0 109.647 173.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.31 -42.66 99.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.115 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 98.0 m -55.4 -43.33 75.13 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.836 0.351 . . . . 0.0 110.977 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.34 -42.04 96.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.789 178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 82' ' ' TYR . 68.6 mt -67.72 -37.69 79.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.694 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.561 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.4 mtt -65.76 -35.07 79.68 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.877 0.37 . . . . 0.0 110.422 177.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 40.9 ttt180 -62.88 -43.93 97.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.534 0.683 . . . . 0.0 109.36 176.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.672 ' HA ' HE21 ' A' ' 92' ' ' GLN . 82.1 t80 -67.71 -30.45 69.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.175 176.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.09 -44.02 81.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.433 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.44 HG22 HG13 ' A' ' 96' ' ' ILE . 88.8 t -62.62 -38.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.285 177.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.672 HE21 ' HA ' ' A' ' 89' ' ' TYR . 47.6 mt-30 -64.04 -28.19 69.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.275 178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -94.49 10.9 32.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.632 0.253 . . . . 0.0 111.108 176.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 94' ' ' LYS . 35.6 tttm 62.78 19.73 11.66 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.366 0.666 . . . . 0.0 112.014 176.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.569 ' HE1' HG21 ' A' ' 16' ' ' VAL . 29.0 mtm -75.46 -39.7 58.39 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 121.896 -0.502 . . . . 0.0 110.269 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.44 HG13 HG22 ' A' ' 91' ' ' VAL . 32.4 pt -123.96 150.02 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.199 178.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 97' ' ' ARG . 34.4 mtm105 -65.03 -56.25 14.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.852 179.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.419 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 95.6 m-85 -139.75 170.61 15.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 177.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.448 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.3 m-20 -82.1 113.64 44.98 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HB3' ' HA ' ' A' ' 57' ' ' THR . 50.1 Cg_exo -57.0 -28.52 78.82 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.439 2.093 . . . . 0.0 111.733 177.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.45 -31.35 69.6 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.095 178.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.448 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 22.4 m-85 -87.59 -33.99 18.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.508 177.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -64.18 -48.08 77.33 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.365 -176.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.1 tp -74.6 103.02 4.75 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.447 0.642 . . . . 0.0 110.54 -179.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -73.59 -0.95 16.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.101 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 89.63 12.1 63.07 Favored Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -170.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.41 -50.24 74.36 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.725 -0.737 . . . . 0.0 111.013 -179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.602 HG12 ' H ' ' A' ' 110' ' ' LYS . 19.7 t -95.37 131.82 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 116.231 -0.441 . . . . 0.0 109.978 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -87.33 12.96 10.7 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.219 -176.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.602 ' H ' HG12 ' A' ' 108' ' ' VAL . 94.5 mttt -129.84 -171.81 2.61 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.533 -179.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 53.0 mt -90.24 2.3 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.479 0.657 . . . . 0.0 110.139 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -99.8 169.94 8.89 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.657 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -96.81 -5.07 39.23 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.064 0.459 . . . . 0.0 110.157 -178.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -123.2 145.32 48.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.267 -176.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -84.97 -39.02 18.59 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 172.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.11 128.08 55.25 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.004 -0.998 . . . . 0.0 108.764 176.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -73.5 -36.66 65.78 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.006 0.431 . . . . 0.0 110.127 -176.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 41.7 p-80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 168.611 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 5' ' ' GLU . 92.7 mttt . . . . . 0 N--CA 1.479 0.981 0 CA-C-O 120.814 0.34 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.614 ' HA ' ' HB2' ' A' ' 5' ' ' GLU . 14.4 p -80.8 -0.32 38.2 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.191 -176.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 46.1 t -79.61 -36.76 17.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 108.608 -0.886 . . . . 0.0 108.608 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -79.19 -40.6 30.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.177 -0.92 . . . . 0.0 109.661 174.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.614 ' HB2' ' HA ' ' A' ' 2' ' ' SER . 54.4 mt-10 -65.75 133.39 50.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.035 177.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.14 -26.76 62.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.117 0.484 . . . . 0.0 110.627 -177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 6.6 mmm180 -104.5 104.16 13.97 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.379 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.736 HD21 HG22 ' A' ' 15' ' ' THR . 45.3 t-20 -77.4 121.95 24.5 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 178.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 30.8 p-10 -92.28 -8.59 44.8 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.105 -176.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 43.9 m -104.55 101.54 11.19 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 120.939 0.4 . . . . 0.0 111.123 -176.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 56.7 mtm180 -83.88 62.93 7.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.488 0.661 . . . . 0.0 109.785 176.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.46 141.15 51.94 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.348 176.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -53.46 -45.99 69.76 Favored 'General case' 0 C--N 1.328 -0.366 0 O-C-N 123.383 0.427 . . . . 0.0 111.974 -170.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 15' ' ' THR . 18.3 pttm -61.59 -38.38 87.34 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 111.506 -176.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.736 HG22 HD21 ' A' ' 8' ' ' ASN . 8.4 m -78.99 -37.09 40.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.094 0.473 . . . . 0.0 110.617 -176.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.556 HG21 ' SD ' ' A' ' 95' ' ' MET . 99.9 t -70.49 -41.69 78.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.448 177.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -32.87 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.532 176.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.4 -35.22 75.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.968 0.413 . . . . 0.0 110.363 176.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.3 m -69.73 -40.5 76.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.363 0.602 . . . . 0.0 109.777 175.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 56.2 t90 -63.1 -41.46 99.39 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.222 175.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.405 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 75.7 t80 -60.23 -34.0 73.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.638 178.128 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.15 2.91 41.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.336 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.8 m -112.72 -45.38 3.22 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.453 0.644 . . . . 0.0 109.999 177.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -77.44 105.21 8.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.304 179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.0 p -122.99 22.31 9.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.348 0.594 . . . . 0.0 110.301 177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -78.42 -15.24 58.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.439 -0.801 . . . . 0.0 111.178 -177.638 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.4 ' HE3' ' HG2' ' A' ' 32' ' ' GLN . 20.0 m0 -95.88 168.8 10.42 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.121 177.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 44.9 p -77.13 151.53 35.32 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 174.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -61.67 -40.51 95.2 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.709 -174.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -66.66 -38.12 86.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.74 0.305 . . . . 0.0 110.834 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.563 ' O ' HG23 ' A' ' 35' ' ' VAL . 73.0 t80 -64.39 -48.24 76.18 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 176.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.405 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 38.9 mt-30 -62.44 -33.42 74.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.527 179.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -61.97 -45.4 93.84 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.804 0.335 . . . . 0.0 110.227 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.9 p -70.26 -34.0 72.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.006 176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 31' ' ' TYR . 78.7 t -59.79 -57.56 11.08 Favored 'Isoleucine or valine' 0 C--O 1.232 0.157 0 CA-C-O 120.887 0.375 . . . . 0.0 110.156 175.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.406 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 69.8 t-105 -55.46 -44.27 76.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.103 -178.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.7 m -62.23 -49.27 76.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.233 179.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HD3' HH11 ' A' ' 38' ' ' ARG . 22.5 mtm180 -63.72 -32.96 74.62 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.628 0.252 . . . . 0.0 111.059 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.9 mt -61.42 -50.97 70.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.436 176.1 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 48.8 mt-10 -62.78 -35.3 79.38 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.517 -178.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.5 m -73.36 -50.16 23.43 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 62.5 m-85 -106.15 -47.05 3.92 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.86 0.689 . . . . 0.0 112.86 -169.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.631 ' HG ' HD11 ' A' ' 47' ' ' ILE . 20.3 tp -85.76 -47.21 9.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -169.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 11.4 m-30 -60.9 -39.1 62.36 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 114.898 1.444 . . . . 0.0 114.898 -174.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -42.88 -45.11 9.08 Favored 'Trans proline' 0 C--N 1.357 1.003 0 C-N-CA 122.341 2.027 . . . . 0.0 114.249 -177.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -81.6 -41.93 20.8 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.166 0.432 . . . . 0.0 112.166 -176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.631 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -103.14 5.96 10.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -170.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.83 -53.03 5.12 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.933 -0.651 . . . . 0.0 113.181 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.9 p-10 -94.56 9.15 39.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.128 0.489 . . . . 0.0 110.585 -179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -102.52 139.22 38.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.207 178.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -63.62 123.51 19.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.991 175.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.527 HG13 HD12 ' A' ' 55' ' ' LEU . 14.3 tt -67.43 -24.71 31.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.717 -173.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.1 -12.26 61.12 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.877 0.37 . . . . 0.0 110.893 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -97.15 -12.76 22.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.117 0.484 . . . . 0.0 110.467 178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 HD12 HG13 ' A' ' 52' ' ' ILE . 90.0 mt -70.12 143.88 52.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.422 0.63 . . . . 0.0 111.762 -174.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -118.31 166.46 12.6 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.605 175.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.521 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 7.4 m -53.1 -39.17 63.2 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.771 0.32 . . . . 0.0 110.391 176.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.477 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.85 -39.78 97.73 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.198 -0.525 . . . . 0.0 112.434 178.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.8 m-20 -62.05 -31.73 72.17 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.948 0.404 . . . . 0.0 110.874 179.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 26.8 mt -80.65 -35.61 33.65 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.556 0.693 . . . . 0.0 110.66 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.62 -26.81 67.26 Favored 'General case' 0 C--O 1.219 -0.542 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.717 -178.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 58' ' ' GLY . 94.0 t -61.89 -57.81 21.83 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.393 -0.337 . . . . 0.0 111.77 -179.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.408 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 9.3 Cg_endo -56.28 -40.86 81.97 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 121.937 1.758 . . . . 0.0 112.313 174.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 76.2 mt -61.2 -46.48 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.24 0.543 . . . . 0.0 110.505 176.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -61.28 -35.28 76.89 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.796 179.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -59.56 -39.54 84.39 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.769 175.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 55.7 mt -69.19 -35.07 66.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.695 179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -58.91 -47.7 84.05 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.03 -26.35 68.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.639 177.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 30.6 tp -70.07 -35.72 74.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.031 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.7 22.14 6.15 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.238 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -130.06 84.71 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.959 0.409 . . . . 0.0 110.755 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.3 mt -68.73 -33.47 73.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.557 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -61.69 -45.81 92.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.938 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.2 mm -63.58 -49.18 83.51 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.363 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.708 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.457 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -56.72 -43.29 80.48 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.254 0.55 . . . . 0.0 110.571 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 32.9 ttm -60.26 -50.02 75.28 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.291 -0.868 . . . . 0.0 111.211 177.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 51.6 mtt180 -76.53 -29.32 56.68 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.897 -175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.576 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 39.0 t -66.28 -38.64 82.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 174.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 22.5 ttpp -62.75 -39.54 94.44 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 174.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -60.59 -45.58 93.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.68 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.2 m-85 -57.54 -51.52 69.14 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-O 121.197 0.522 . . . . 0.0 109.716 176.152 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.83 -36.78 77.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.28 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.6 m -57.32 -42.7 82.38 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 120.929 0.395 . . . . 0.0 110.982 179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.28 -39.39 86.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.51 178.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 59.9 mt -65.41 -37.57 80.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.342 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.618 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 63.0 mtt -62.81 -39.26 93.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.443 177.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 -64.02 -37.74 88.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.114 0.483 . . . . 0.0 110.02 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.3 t80 -66.04 -38.65 88.94 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.27 -38.32 87.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.92 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 87' ' ' MET . 93.0 t -64.12 -39.45 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.107 0.48 . . . . 0.0 110.536 177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -70.24 -28.69 65.45 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.288 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -87.23 -7.08 58.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.171 0.51 . . . . 0.0 110.184 173.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.6 tttp 60.84 48.99 6.36 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.657 179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.556 ' SD ' HG21 ' A' ' 16' ' ' VAL . 48.5 mtm -93.54 -29.61 15.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 36.5 pt -126.93 -179.65 2.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.238 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 59.2 mtt85 -95.3 -59.68 1.83 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.028 0.442 . . . . 0.0 110.369 -176.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.559 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 98.4 m-85 -135.1 -172.84 3.15 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.696 -179.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' MET . 16.2 m120 -92.38 105.34 13.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.658 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.581 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 33.5 Cg_exo -60.71 -27.38 84.73 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.596 2.197 . . . . 0.0 111.896 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.95 -8.97 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.588 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -104.8 -37.16 7.14 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.336 175.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.0 15.87 0.36 Allowed 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.048 -0.524 . . . . 0.0 112.063 -176.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 96.4 mt -68.6 -18.2 64.27 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 62.91 20.38 12.19 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.845 173.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.08 27.22 73.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.849 -0.614 . . . . 0.0 112.901 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.38 -18.69 54.72 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.075 0.464 . . . . 0.0 110.859 178.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.3 m -72.23 134.26 30.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.824 179.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 60.7 mt-30 -93.72 -6.74 45.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.284 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -95.97 1.81 53.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.845 0.355 . . . . 0.0 110.897 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.6 tp -138.88 163.29 32.68 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 -175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -59.61 128.23 35.98 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 175.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -68.47 -29.17 67.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.696 -175.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -136.71 97.39 3.53 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.993 0.425 . . . . 0.0 110.23 174.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.0 t60 -104.95 117.77 34.85 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 42.5 m80 -76.65 152.91 35.65 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.475 ' O ' ' HB2' ' A' ' 118' ' ' HIS . 5.7 t60 -54.47 -63.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 O-C-N 123.402 0.439 . . . . 0.0 110.157 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.475 ' HB2' ' O ' ' A' ' 117' ' ' HIS . 79.0 t60 . . . . . 0 C--O 1.249 1.035 0 O-C-N 123.916 0.76 . . . . 0.0 109.025 178.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 120.599 0.237 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 m -74.78 123.18 24.51 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 174.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.4 m -120.01 142.81 33.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-O 120.882 0.372 . . . . 0.0 111.024 -177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -107.46 133.48 51.9 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.243 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.6 mp0 -77.45 22.88 0.23 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.66 -176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -90.13 -7.39 53.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.22 -0.446 . . . . 0.0 109.899 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -74.67 -63.86 1.16 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.572 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -85.62 152.75 22.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -106.53 96.79 6.71 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.861 0.362 . . . . 0.0 110.933 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 31.8 m -82.79 140.26 33.08 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 172.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.524 ' HD2' ' HG2' ' A' ' 95' ' ' MET . 19.8 mtm180 -87.61 25.48 1.46 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.192 0.52 . . . . 0.0 110.877 -177.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.14 142.87 55.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.784 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -49.98 -35.19 23.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.93 -178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -61.04 -60.46 3.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.203 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.7 m -61.65 -41.64 97.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.37 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.531 HG21 ' HE1' ' A' ' 95' ' ' MET . 84.3 t -71.31 -38.85 71.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.52 -177.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.41 -33.14 72.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.75 0.309 . . . . 0.0 110.712 176.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 42.3 tttm -70.95 -36.15 72.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.225 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.4 t -65.64 -41.98 91.98 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -59.32 -46.49 88.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.198 175.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.603 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.4 t80 -60.61 -37.27 80.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.544 179.298 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.41 -33.56 48.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.493 -178.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.3 m -80.56 -35.92 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.951 0.405 . . . . 0.0 111.008 -177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -86.18 116.26 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.162 0.506 . . . . 0.0 110.436 -179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.6 p -129.27 29.07 5.18 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.616 -178.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 p -84.15 0.53 48.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.302 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -117.8 160.16 21.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.106 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -68.16 144.05 55.14 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.31 -31.71 72.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.42 ' O ' ' HB3' ' A' ' 33' ' ' ARG . 29.5 t70 -64.04 -45.99 86.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.973 0.416 . . . . 0.0 110.474 176.195 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' O ' HG23 ' A' ' 35' ' ' VAL . 36.3 t80 -64.94 -40.92 95.77 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.603 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 43.5 mt-30 -58.22 -36.27 72.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.725 176.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 33' ' ' ARG . 11.9 ttp180 -59.47 -47.53 85.16 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.781 177.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.455 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 82.2 p -66.58 -38.61 87.41 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.504 178.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 31' ' ' TYR . 93.3 t -61.68 -46.32 96.8 Favored 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.034 0.445 . . . . 0.0 110.413 176.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 45.3 t-105 -60.18 -43.98 95.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.411 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.3 m -61.03 -39.85 91.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.76 178.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 34' ' ' SER . 99.4 mtt180 -63.62 -40.85 97.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.413 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.34 -52.34 58.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.987 178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.423 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 51.0 mt-10 -58.49 -40.54 83.06 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.808 0.337 . . . . 0.0 111.502 -178.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.6 m -74.83 -49.65 19.9 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -174.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -95.09 -45.0 7.4 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.884 0.698 . . . . 0.0 112.884 -169.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.704 ' O ' HG12 ' A' ' 47' ' ' ILE . 4.3 mp -93.04 -47.49 6.96 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.457 0.54 . . . . 0.0 112.457 -171.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.467 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 3.4 m-85 -47.25 -44.28 49.99 Favored Pre-proline 0 CA--C 1.543 0.706 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 -175.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.2 Cg_endo -68.05 -25.8 37.61 Favored 'Trans proline' 0 C--N 1.354 0.831 0 C-N-CA 121.633 1.555 . . . . 0.0 113.048 -177.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -102.69 -51.19 3.36 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 -176.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.704 HG12 ' O ' ' A' ' 43' ' ' LEU . 0.8 OUTLIER -76.43 -27.98 17.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 121.23 0.538 . . . . 0.0 110.359 -175.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.32 0.41 80.34 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.237 -174.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -98.42 9.36 43.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.788 0.804 . . . . 0.0 109.259 177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.424 ' HD3' HD23 ' A' ' 55' ' ' LEU . 43.4 mttm -123.76 155.24 38.27 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.084 179.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -82.16 18.3 1.42 Allowed 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.401 -174.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.594 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER 73.19 -44.08 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.46 0 C-N-CA 122.599 0.359 . . . . 0.0 111.206 -178.335 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.89 17.49 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.609 0.719 . . . . 0.0 110.02 175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -126.07 22.87 7.23 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.924 -1.034 . . . . 0.0 108.942 -178.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HD13 ' A' ' 52' ' ' ILE . 74.2 mt -111.92 114.06 26.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.465 -177.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -98.08 166.47 11.41 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 172.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.457 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 23.4 m -51.36 -39.1 56.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.718 0.294 . . . . 0.0 110.51 175.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.455 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.86 -41.42 97.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.94 -0.647 . . . . 0.0 112.196 177.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -63.89 -24.37 67.71 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.712 0.291 . . . . 0.0 111.099 -179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.9 mt -92.29 -33.56 14.58 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.686 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 57' ' ' THR . 33.4 mt -65.43 -35.17 80.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.809 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.633 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.1 t -61.24 -50.88 81.91 Favored Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.443 -0.313 . . . . 0.0 111.836 -178.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.633 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 53.3 Cg_exo -56.91 -38.36 96.12 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 122.153 1.902 . . . . 0.0 112.797 172.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.1 mt -63.68 -42.74 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.541 0.686 . . . . 0.0 109.755 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.514 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 54.6 tttp -69.88 -23.29 63.23 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.436 179.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 80.8 tttt -65.69 -40.66 92.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.393 174.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mt -76.92 -30.47 18.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.754 176.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.514 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 30.5 tt0 -59.07 -46.19 88.9 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.822 171.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -72.18 -14.85 61.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.342 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.6 tp -82.58 -14.35 55.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.682 177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 96.91 -6.1 64.15 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.869 -0.605 . . . . 0.0 112.742 176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -102.32 80.33 1.94 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.89 0.376 . . . . 0.0 111.323 -177.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.91 -35.8 82.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.97 178.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.41 ' HG2' ' HE ' ' A' ' 78' ' ' ARG . 65.9 tt0 -63.36 -47.9 80.16 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.325 178.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 79' ' ' VAL . 39.5 mt -62.24 -40.46 87.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.663 179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -45.13 79.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.947 0.404 . . . . 0.0 110.729 177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.4 mtm -65.88 -38.43 88.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 177.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.41 ' HE ' ' HG2' ' A' ' 74' ' ' GLU . 82.7 mtt-85 -67.9 -46.26 72.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.312 -179.396 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.697 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 63.8 t -66.98 -33.62 64.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.828 0.347 . . . . 0.0 110.266 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -59.82 -38.48 82.12 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 175.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -63.59 -45.51 90.06 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.632 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.697 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 9.0 m-85 -59.09 -48.08 82.89 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.72 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -58.7 -44.87 90.45 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.042 179.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 35.5 m -58.54 -35.81 72.9 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.716 0.293 . . . . 0.0 111.141 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.93 -40.37 79.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.846 0.355 . . . . 0.0 110.367 176.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.12 -36.12 77.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.138 176.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.72 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.7 mmt -58.62 -48.31 81.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.467 178.138 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp85 -64.41 -36.76 85.2 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.224 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -60.99 -43.52 98.73 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.681 175.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.97 85.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.379 178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 87' ' ' MET . 84.3 t -62.52 -46.86 95.39 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-O 121.037 0.446 . . . . 0.0 110.396 176.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -68.99 -30.63 69.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.239 -179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 46.7 tt0 -83.01 -1.61 53.08 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.928 0.394 . . . . 0.0 110.425 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 85.1 mttt 64.6 37.96 7.49 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.851 178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' ILE . 21.5 mtm -93.21 -32.66 14.28 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.096 0.474 . . . . 0.0 109.754 175.459 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.438 HG23 HG23 ' A' ' 52' ' ' ILE . 37.5 pt -131.08 179.63 4.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.387 176.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 97' ' ' ARG . 71.3 mtt180 -93.44 -55.8 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.063 0.458 . . . . 0.0 110.148 -178.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 37.7 t80 -150.82 161.0 43.49 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 -179.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.769 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 2.0 m-20 -59.14 115.13 10.94 Favored Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 123.253 0.346 . . . . 0.0 111.121 -178.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_exo -70.13 -20.47 33.05 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.372 2.048 . . . . 0.0 111.061 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -95.96 16.52 17.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.935 179.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.769 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 35.8 t80 -96.16 -44.18 7.4 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.075 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -72.84 -3.29 24.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.586 -0.734 . . . . 0.0 112.701 -174.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 105' ' ' GLU . 2.6 pp -79.69 -18.01 52.32 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.891 0.376 . . . . 0.0 110.795 177.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 104' ' ' LEU . 45.6 tt0 -81.6 99.77 9.03 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 124.7 -8.22 8.25 Favored Glycine 0 N--CA 1.445 -0.709 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 -173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -78.68 126.96 31.45 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 176.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.603 ' HA ' ' HB2' ' A' ' 111' ' ' LEU . 27.2 m -71.15 2.8 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 120.973 0.416 . . . . 0.0 111.882 -176.064 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -67.29 -34.08 76.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.728 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -122.42 24.68 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.876 0.846 . . . . 0.0 109.611 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.603 ' HB2' ' HA ' ' A' ' 108' ' ' VAL . 85.0 mt -113.75 56.73 0.7 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.085 173.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -61.12 147.01 45.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.71 -176.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 78.9 m-70 -77.66 -27.56 50.98 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -128.81 99.5 5.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.416 169.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.91 111.93 4.64 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 -177.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -82.61 144.78 30.08 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.266 0.555 . . . . 0.0 111.515 -171.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -104.29 -6.94 20.39 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.758 174.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 m80 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.808 -1.091 . . . . 0.0 109.19 179.72 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 120.738 0.304 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.0 t -98.53 103.28 15.21 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 172.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.5 m -109.42 161.83 7.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.809 -177.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 50.3 tt0 -75.6 -55.83 5.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.133 0.492 . . . . 0.0 109.782 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.5 ' HB2' ' OD1' ' A' ' 8' ' ' ASN . 6.1 mm-40 -118.67 147.9 43.31 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.923 177.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -69.62 -33.98 73.42 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.955 0.407 . . . . 0.0 110.89 -176.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.612 ' O ' HG21 ' A' ' 15' ' ' THR . 74.4 mtp85 -73.75 -4.97 37.86 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.662 -177.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' OD1' ' HB2' ' A' ' 5' ' ' GLU . 4.1 m-20 -71.09 -12.2 61.38 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.366 0.603 . . . . 0.0 109.853 175.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -78.37 -38.89 40.81 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.569 -0.742 . . . . 0.0 109.735 174.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 9.1 p -74.46 119.24 18.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 121.191 0.52 . . . . 0.0 110.765 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.541 ' HD3' ' HG2' ' A' ' 95' ' ' MET . 99.1 mtt180 -95.89 34.18 1.57 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.316 -172.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' A' ' 48' ' ' GLY . . . -60.52 139.71 57.64 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.776 171.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -50.95 -37.67 45.79 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.662 0.601 . . . . 0.0 110.914 -176.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.657 ' HE2' ' HB3' ' A' ' 44' ' ' PHE . 66.4 mttt -63.74 -51.07 66.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.899 -179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 7' ' ' ARG . 89.6 m -62.47 -38.94 91.78 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.145 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.625 HG21 ' CE ' ' A' ' 95' ' ' MET . 87.1 t -72.96 -42.23 59.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.16 -178.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.14 -31.22 72.31 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.172 176.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.438 ' HB3' ' O ' ' A' ' 15' ' ' THR . 78.7 tttt -58.77 -47.3 85.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.27 174.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.7 m -65.47 -34.96 79.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.585 178.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -66.55 -41.86 88.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -67.55 -23.15 65.39 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.999 179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.57 -6.28 54.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.648 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 p -117.18 -43.1 2.86 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tptt -70.1 108.79 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.684 -0.488 . . . . 0.0 109.684 178.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -124.59 28.12 6.68 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.393 0.616 . . . . 0.0 110.417 -178.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.1 m -78.26 -24.6 46.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.469 -176.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 9.7 m0 -106.03 167.27 9.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.262 179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 53.9 p -82.09 155.06 25.26 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -54.14 -42.02 69.07 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -175.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -61.19 -47.86 84.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 0.0 111.039 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.438 ' O ' HG23 ' A' ' 35' ' ' VAL . 92.2 t80 -74.3 -43.28 57.46 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.749 0.309 . . . . 0.0 110.742 -177.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 48.1 tt0 -71.5 -30.45 65.97 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.299 -175.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.6 ttt180 -69.87 -35.53 74.76 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 173.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.684 ' O ' ' HB2' ' A' ' 38' ' ' ARG . 47.2 m -62.38 -33.43 74.73 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.996 172.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.508 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.9 t -69.08 -46.56 78.14 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.36 174.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.9 t-105 -57.16 -56.99 14.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.141 -178.721 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.7 m -67.57 -24.9 65.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.026 0.441 . . . . 0.0 111.23 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.684 ' HB2' ' O ' ' A' ' 34' ' ' SER . 1.1 tpp180 -62.46 -46.3 89.14 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 174.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.8 mt -62.98 -47.48 82.96 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.137 -0.938 . . . . 0.0 110.099 176.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 44.7 mt-10 -53.89 -36.44 62.68 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.883 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 26.3 m -85.21 -38.91 18.41 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 -172.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.5 ' HB3' HD11 ' A' ' 67' ' ' ILE . 66.2 m-85 -109.9 -40.14 4.86 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -171.032 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.628 ' HG ' HD11 ' A' ' 47' ' ' ILE . 25.7 tp -98.38 -43.83 6.77 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.968 0.413 . . . . 0.0 111.694 -169.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.657 ' HB3' ' HE2' ' A' ' 14' ' ' LYS . 6.2 m-30 -59.35 -38.31 61.45 Favored Pre-proline 0 CA--C 1.544 0.75 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -178.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.44 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 32.5 Cg_exo -59.04 -36.98 95.45 Favored 'Trans proline' 0 C--N 1.352 0.76 0 C-N-CA 121.767 1.645 . . . . 0.0 113.358 -173.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.76 -46.34 11.5 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.941 0.401 . . . . 0.0 111.979 -172.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.628 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -107.07 -5.3 10.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -172.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.489 ' HA3' ' HE3' ' A' ' 14' ' ' LYS . . . -63.39 -42.25 99.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 121.277 -0.487 . . . . 0.0 114.034 -171.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -91.61 4.69 52.05 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.901 0.381 . . . . 0.0 110.852 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.491 ' HE3' ' HB2' ' A' ' 54' ' ' GLU . 53.3 tptt -91.45 151.96 20.58 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -75.18 6.14 4.66 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.29 -173.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.03 -47.4 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 174.108 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.38 -25.08 67.87 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.203 0.446 . . . . 0.0 112.203 -173.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.491 ' HB2' ' HE3' ' A' ' 50' ' ' LYS . 37.6 mt-10 -100.84 8.34 43.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.477 -175.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.507 HD12 HD13 ' A' ' 52' ' ' ILE . 83.5 mt -78.06 131.98 37.54 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.903 0.382 . . . . 0.0 110.356 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -99.83 163.99 12.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.718 178.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.583 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 11.2 m -55.15 -37.28 66.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.851 0.358 . . . . 0.0 110.499 176.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.471 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.66 -35.59 91.27 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.381 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -69.46 -29.6 67.32 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.929 0.395 . . . . 0.0 110.119 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 63.4 mt -79.18 -32.25 44.12 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.256 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HG ' ' O ' ' A' ' 57' ' ' THR . 72.8 mt -64.96 -31.06 72.12 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.857 177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.511 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.6 t -55.89 -61.01 7.11 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-O 119.633 -0.223 . . . . 0.0 111.566 -179.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.9 Cg_endo -59.51 -40.85 62.57 Favored 'Trans proline' 0 C--N 1.355 0.919 0 C-N-CA 121.891 1.727 . . . . 0.0 112.416 177.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.93 -43.86 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.148 0.499 . . . . 0.0 110.686 178.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt -66.09 -39.62 90.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.763 -177.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.45 -20.03 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.964 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.5 HD11 ' HB3' ' A' ' 42' ' ' TYR . 84.7 mt -79.43 -39.21 20.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 171.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.29 -51.58 68.81 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.617 -0.719 . . . . 0.0 109.957 173.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 6.9 tmtm? -63.74 -22.72 67.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.948 177.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.6 tp -70.77 -14.6 62.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.198 0.523 . . . . 0.0 109.806 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.78 -10.42 52.55 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.725 -0.67 . . . . 0.0 112.284 175.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 -100.06 79.63 2.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.019 0.437 . . . . 0.0 110.835 -176.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.46 -34.26 75.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.584 177.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.619 ' HB3' ' NH1' ' A' ' 78' ' ' ARG . 44.7 mt-10 -62.05 -51.2 68.95 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.557 177.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 54.2 mt -61.58 -37.93 79.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.438 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.2 -45.03 88.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.948 0.404 . . . . 0.0 110.664 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 31.5 mmt -67.85 -45.56 74.27 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.702 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.619 ' NH1' ' HB3' ' A' ' 74' ' ' GLU . 48.2 mtt85 -62.54 -43.51 98.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.809 -177.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 59.4 t -64.86 -39.12 84.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.607 0.241 . . . . 0.0 110.776 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.92 -37.77 83.43 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.73 0.3 . . . . 0.0 110.293 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 57.9 tp60 -59.88 -48.76 80.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.291 177.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -63.13 -46.25 88.13 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.055 179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.53 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.62 -44.21 89.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.226 -179.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 81.5 m -59.82 -40.21 87.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.565 -0.288 . . . . 0.0 111.019 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.28 -41.6 99.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.059 0.457 . . . . 0.0 110.631 177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 63.9 mt -67.91 -36.76 76.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.386 177.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.53 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -65.01 -34.25 78.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.888 178.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.7 ttt180 -66.9 -40.46 87.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.043 0.449 . . . . 0.0 109.931 175.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -65.67 -30.98 71.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.557 175.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.615 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -64.12 -49.91 70.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.915 176.378 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.53 HG22 HG13 ' A' ' 96' ' ' ILE . 28.8 t -61.39 -33.75 58.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 CA-C-O 121.31 0.576 . . . . 0.0 110.125 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -67.42 -27.66 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.02 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -98.23 6.69 47.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.594 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 64.86 28.83 12.72 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.462 0.648 . . . . 0.0 110.877 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.625 ' CE ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtp -73.18 -53.58 10.6 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.751 176.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.53 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -120.73 153.77 24.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.848 175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 40.4 mtt-85 -85.43 -34.12 21.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.138 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -144.78 173.63 11.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.702 179.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.3 t-20 -94.96 115.9 65.84 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.539 -178.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 11.3 Cg_exo -72.22 -18.26 27.03 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 123.131 2.554 . . . . 0.0 113.105 -178.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.08 -36.13 69.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.768 0.318 . . . . 0.0 110.779 -178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -80.32 -19.62 46.15 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.498 175.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -60.64 -24.19 65.36 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.571 -0.74 . . . . 0.0 111.919 -173.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.424 HD11 HD21 ' A' ' 61' ' ' LEU . 82.0 mt -70.55 -28.65 65.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.182 179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 66.29 -56.4 0.38 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.566 0.746 . . . . 0.0 112.049 -175.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 174.11 46.52 0.05 OUTLIER Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 121.114 -0.565 . . . . 0.0 111.793 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -61.86 -30.96 71.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.064 0.459 . . . . 0.0 110.676 178.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.3 p -141.17 132.35 27.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.488 176.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -131.4 179.81 5.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.99 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -60.42 -26.41 66.69 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.982 0.42 . . . . 0.0 111.577 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.5 tp -75.45 -19.24 59.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.799 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -103.83 162.68 12.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.409 -176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -137.04 175.93 9.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.541 178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -75.93 -21.44 57.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.924 0.392 . . . . 0.0 110.597 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -116.98 97.24 5.84 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.167 173.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -90.85 89.92 7.68 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -112.37 137.31 50.71 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.978 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.441 -0.79 . . . . 0.0 110.001 176.837 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.9 pttp . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 111.605 0.224 . . . . 0.0 111.605 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 m -82.51 153.23 25.68 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 174.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 65.1 t -63.94 -47.72 89.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 175.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -136.06 124.57 23.55 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.888 177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -95.56 -162.95 0.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.062 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -86.48 28.91 0.81 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 110.998 -176.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 56.3 mtt-85 -97.3 177.09 5.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.988 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -141.94 108.1 5.23 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.827 0.346 . . . . 0.0 110.483 178.169 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -73.73 89.22 1.78 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.191 0.519 . . . . 0.0 110.07 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 11.7 m -72.78 138.49 46.47 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.011 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.642 ' HG2' ' HG2' ' A' ' 95' ' ' MET . 55.3 mtt180 -77.26 35.94 0.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -92.86 149.63 21.14 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 43.9 t80 -56.46 -48.22 77.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -58.72 -40.88 84.99 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.935 0.398 . . . . 0.0 111.345 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.6 m -71.62 -48.98 44.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.17 0.509 . . . . 0.0 110.688 -177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.575 HG21 ' CE ' ' A' ' 95' ' ' MET . 71.3 t -68.94 -36.62 74.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.531 -176.482 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.69 88.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.361 . . . . 0.0 110.39 176.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -66.5 -43.42 85.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.764 177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 44.7 m -63.42 -40.55 97.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.329 176.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -59.42 -46.94 87.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.313 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' HE1' ' HB3' ' A' ' 32' ' ' GLN . 87.5 t80 -61.37 -36.08 79.25 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.767 -0.652 . . . . 0.0 111.298 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 -20.29 45.83 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.866 0.365 . . . . 0.0 111.389 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 45.5 m -92.01 -51.01 5.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.919 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -86.01 123.39 31.28 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.397 0.618 . . . . 0.0 111.072 -176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.49 64.94 1.48 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.48 -179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.6 p -99.33 -3.67 33.47 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.222 -179.539 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -118.55 -177.01 3.2 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.218 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.9 p -83.4 160.09 21.67 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.78 -0.452 . . . . 0.0 109.78 175.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 111.472 0.175 . . . . 0.0 111.472 -177.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.45 -39.45 88.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.819 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.5 ' O ' HG23 ' A' ' 35' ' ' VAL . 28.8 t80 -69.19 -42.77 75.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 178.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' HE1' ' A' ' 21' ' ' PHE . 40.1 mt-30 -64.98 -37.22 86.94 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.702 177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.3 tpt180 -59.56 -49.07 79.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.54 176.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.1 p -68.65 -36.33 78.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.003 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.625 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 50.1 t -59.88 -53.05 53.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.875 0.369 . . . . 0.0 110.199 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.8 t-105 -57.39 -49.52 75.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.189 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 29.5 m -62.74 -38.84 92.11 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.771 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.525 ' HD3' HG23 ' A' ' 75' ' ' ILE . 31.4 ttm180 -63.74 -39.78 95.11 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.939 178.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.3 mt -60.46 -47.35 86.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.007 176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.66 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.5 mt-10 -59.67 -27.35 66.31 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.979 0.418 . . . . 0.0 111.174 178.123 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 40.6 m -78.39 -51.21 10.39 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.071 -0.513 . . . . 0.0 112.119 -175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 71.2 m-85 -109.85 -29.32 8.34 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 -171.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.604 ' HG ' HD11 ' A' ' 47' ' ' ILE . 19.4 tp -97.96 -50.48 4.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 0.0 111.33 -169.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.66 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.2 m-85 -59.54 -38.45 62.06 Favored Pre-proline 0 CA--C 1.548 0.87 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.544 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 39.0 Cg_endo -64.59 -12.8 35.39 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.975 1.783 . . . . 0.0 113.41 -172.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -108.31 -56.17 2.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.696 0.284 . . . . 0.0 111.345 -178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.604 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.5 pt -97.14 -0.35 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -174.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -57.91 -49.15 77.26 Favored Glycine 0 CA--C 1.517 0.158 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.864 -177.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.5 m-80 -111.54 18.71 18.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.08 0.467 . . . . 0.0 110.676 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -101.38 130.34 47.56 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.363 -1.347 . . . . 0.0 107.363 173.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.502 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 10.9 t70 -57.57 134.36 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.059 0.457 . . . . 0.0 111.006 -172.66 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER -68.74 -28.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.167 -173.773 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.47 -3.71 56.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.655 0.741 . . . . 0.0 109.876 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 51' ' ' ASP . 9.7 tm-20 -102.96 4.84 37.9 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 114.986 -1.007 . . . . 0.0 108.65 178.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.703 HD13 HD21 ' A' ' 60' ' ' LEU . 93.6 mt -88.07 127.35 35.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.207 -0.906 . . . . 0.0 111.213 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -95.04 164.75 12.75 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.043 173.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.515 ' OG1' ' HG ' ' A' ' 104' ' ' LEU . 32.1 m -54.6 -42.67 71.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.965 0.412 . . . . 0.0 110.212 175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.489 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.43 -34.91 90.57 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 112.08 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -58.43 -45.51 88.35 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.784 0.326 . . . . 0.0 110.583 178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.703 HD21 HD13 ' A' ' 55' ' ' LEU . 45.3 mt -74.18 -31.15 62.56 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.445 0.641 . . . . 0.0 110.492 -178.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' HG ' ' O ' ' A' ' 57' ' ' THR . 68.4 mt -64.76 -26.22 68.26 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.007 177.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 58.2 t -58.52 -61.42 7.67 Favored Pre-proline 0 CA--C 1.537 0.449 0 CA-C-O 119.412 -0.328 . . . . 0.0 111.519 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.495 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 13.2 Cg_endo -58.79 -39.52 81.05 Favored 'Trans proline' 0 C--N 1.358 1.069 0 C-N-CA 121.967 1.778 . . . . 0.0 112.569 176.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.722 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.4 mt -62.23 -47.75 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.333 0 CA-C-O 121.274 0.559 . . . . 0.0 110.638 178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.468 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 35.4 ttpt -66.36 -32.86 74.52 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.707 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -57.44 -39.49 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.744 176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 63' ' ' PRO . 28.9 mt -76.76 -32.76 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.317 178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -58.34 -49.75 76.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.747 174.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 39.2 mttp -78.35 0.24 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.587 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.1 tp -83.01 -12.49 57.2 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 172.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.8 11.49 59.01 Favored Glycine 0 N--CA 1.447 -0.585 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.317 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -122.88 87.17 2.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 110.77 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 77' ' ' MET . 85.0 mt -65.92 -43.05 89.26 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.596 -0.729 . . . . 0.0 111.237 -178.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 54.1 mt-10 -60.26 -48.66 80.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.706 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.525 HG23 ' HD3' ' A' ' 38' ' ' ARG . 48.7 mm -57.04 -47.03 84.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.227 179.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.78 -53.07 62.31 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.236 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.476 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 64.8 mtm -62.85 -38.89 92.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.441 -178.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -74.07 -40.28 62.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 121.161 -0.215 . . . . 0.0 111.339 -177.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.54 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 60.1 t -62.73 -40.17 87.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 174.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.722 ' HD2' HD13 ' A' ' 64' ' ' ILE . 36.4 tttm -63.35 -35.45 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.501 175.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -66.31 -46.26 77.53 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.496 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 14.9 m-85 -56.53 -49.31 75.15 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 174.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.551 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.03 -38.7 79.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.348 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.8 m -58.36 -40.85 83.35 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.891 0.377 . . . . 0.0 110.674 178.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.28 -39.04 82.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.416 178.111 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 82' ' ' TYR . 65.9 mt -64.8 -39.51 85.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.435 177.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.551 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.3 mtt -66.32 -38.96 88.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 29.7 ttp85 -66.68 -37.43 84.74 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 176.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.87 -39.11 93.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.741 173.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.461 ' HA ' ' SD ' ' A' ' 95' ' ' MET . . . -61.84 -41.36 97.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.02 177.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 87' ' ' MET . 89.6 t -63.27 -39.38 85.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.851 0.358 . . . . 0.0 110.283 176.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -63.39 -31.43 72.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.473 ' HA ' ' OE1' ' A' ' 93' ' ' GLN . 11.5 mm-40 -90.54 7.0 41.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.451 177.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 94.2 mttt 59.69 41.56 18.34 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.021 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.642 ' HG2' ' HG2' ' A' ' 11' ' ' ARG . 55.8 mtp -90.03 -52.18 5.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.2 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.463 HD12 ' HD3' ' A' ' 100' ' ' PRO . 34.7 pt -118.81 158.44 19.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.071 0.462 . . . . 0.0 111.47 -174.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 42.0 mtp180 -88.08 80.81 7.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.642 179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 70.77 165.71 0.29 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.796 -177.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.548 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 1.5 m-20 -80.73 118.54 72.86 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.718 -176.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.636 ' HA ' HD21 ' A' ' 104' ' ' LEU . 21.9 Cg_exo -66.55 -17.02 52.63 Favored 'Trans proline' 0 CA--C 1.527 0.141 0 C-N-CA 122.645 2.23 . . . . 0.0 111.851 175.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.66 2.82 10.95 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.942 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.548 ' CE2' ' HB2' ' A' ' 99' ' ' ASN . 24.0 m-85 -87.05 2.82 48.44 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 173.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 63.57 97.94 0.04 OUTLIER 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.001 0.813 . . . . 0.0 110.668 -178.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.636 HD21 ' HA ' ' A' ' 100' ' ' PRO . 6.5 mt -75.38 -23.74 57.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.115 -174.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 61.28 33.06 19.22 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.244 177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 100.21 -6.94 58.26 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.639 -0.791 . . . . 0.0 111.459 -176.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 63.3 -164.12 0.26 Allowed 'General case' 0 C--O 1.235 0.32 0 C-N-CA 123.171 0.588 . . . . 0.0 111.555 177.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 16.3 m -89.16 144.23 9.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.625 179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -76.44 -37.75 56.51 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.635 177.269 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -102.18 100.36 10.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.425 173.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.9 mp -77.37 166.39 23.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.039 -175.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.529 ' H ' ' HG3' ' A' ' 112' ' ' GLU . 0.0 OUTLIER -68.04 -47.9 67.11 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.844 179.179 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -101.68 120.48 40.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -86.71 -35.74 19.09 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.05 178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -88.4 112.77 23.28 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.4 175.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -80.71 112.37 18.02 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 0.0 110.152 -179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 25.3 m-70 -100.67 168.42 9.7 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.069 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.7 t60 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.465 -0.779 . . . . 0.0 109.524 174.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 N--CA 1.485 1.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 p -83.58 -62.65 1.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.337 0.589 . . . . 0.0 109.913 176.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.8 m -97.83 177.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.949 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 68.64 20.65 8.2 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.698 0.624 . . . . 0.0 111.414 177.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -87.42 13.12 10.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.016 0.436 . . . . 0.0 110.631 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -142.31 62.29 1.43 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.022 -179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.7 mtt180 -88.14 114.17 24.49 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.083 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -84.26 148.51 26.66 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.396 179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 51.8 t-20 -60.23 -62.48 1.83 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.316 179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 13.9 p -97.49 136.46 37.87 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.245 -177.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.468 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 59.7 mtt85 -83.73 60.72 5.91 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 174.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.09 142.85 36.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -55.58 -35.97 66.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.495 -179.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -62.89 -55.46 25.91 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.13 0.49 . . . . 0.0 110.606 178.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.3 m -60.53 -44.73 95.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.227 -0.897 . . . . 0.0 111.076 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.621 HG21 ' SD ' ' A' ' 95' ' ' MET . 89.6 t -74.88 -41.72 46.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.742 -174.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.68 -29.25 70.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.771 0.319 . . . . 0.0 110.268 176.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.708 176.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.1 m -68.81 -33.53 74.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.102 0.477 . . . . 0.0 110.296 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -64.48 -44.1 92.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.552 172.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.562 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 45.5 t80 -61.56 -32.82 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.937 178.03 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.14 -23.01 41.43 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.505 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 48.3 m -91.45 -42.24 10.41 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.847 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -99.13 114.86 27.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.252 0.549 . . . . 0.0 111.081 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.7 p -122.44 35.08 4.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.459 -0.792 . . . . 0.0 110.188 178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.7 m -63.01 -40.0 96.44 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.412 -177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -85.91 148.12 25.93 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.359 -178.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.0 m -69.11 153.11 44.29 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -45.43 -40.22 7.94 Favored 'General case' 0 N--CA 1.469 0.525 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -173.037 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -60.12 -59.26 5.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.885 0.374 . . . . 0.0 111.6 -178.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.561 ' O ' HG23 ' A' ' 35' ' ' VAL . 64.7 t80 -71.73 -34.23 69.37 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.717 0.294 . . . . 0.0 110.331 -179.269 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 21.4 tp60 -61.87 -43.24 99.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.355 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 34.4 ttm180 -63.45 -42.23 98.65 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.904 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.406 ' O ' ' HG3' ' A' ' 38' ' ' ARG . 34.4 m -58.82 -38.51 78.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.524 179.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.7 t -58.95 -52.53 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.22 174.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.562 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 72.9 t-105 -58.47 -51.17 71.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.402 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.7 m -60.96 -42.06 97.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.659 -178.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HG3' ' O ' ' A' ' 34' ' ' SER . 49.3 mtm180 -68.86 -37.96 79.44 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.939 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 79.4 mt -59.66 -48.67 80.75 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 174.407 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.669 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 2.2 mm-40 -64.18 -20.49 66.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.424 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 63.2 m -95.87 -36.29 11.16 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -96.65 -61.38 1.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 111.982 0.364 . . . . 0.0 111.982 -174.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.584 ' O ' HG12 ' A' ' 47' ' ' ILE . 6.8 mp -86.65 -52.19 5.69 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -171.563 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 2.9 m-85 -50.55 -41.27 68.14 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -175.021 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.15 -20.18 53.16 Favored 'Trans proline' 0 C--N 1.351 0.658 0 C-N-CA 121.94 1.76 . . . . 0.0 113.179 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -110.04 -39.71 4.95 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.022 0.378 . . . . 0.0 112.022 -175.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.584 HG12 ' O ' ' A' ' 43' ' ' LEU . 8.4 pt -109.78 7.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.963 0.411 . . . . 0.0 111.706 -175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.2 -32.78 10.14 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.335 -0.936 . . . . 0.0 112.905 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -92.71 2.27 56.82 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.168 0.508 . . . . 0.0 110.187 -179.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -115.87 140.39 49.28 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.392 -178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 15.1 t70 -59.03 131.29 50.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.951 0.405 . . . . 0.0 109.932 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.549 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.4 OUTLIER -62.32 -24.6 35.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.606 -0.724 . . . . 0.0 111.569 -172.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.56 -16.85 53.17 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.112 0.482 . . . . 0.0 110.683 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 52.3 mt-10 -88.03 4.55 44.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.162 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.433 HD11 ' HB ' ' A' ' 47' ' ' ILE . 80.3 mt -89.21 109.76 20.6 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.561 -177.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -78.02 159.35 28.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.396 174.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.539 HG21 HD23 ' A' ' 104' ' ' LEU . 2.2 m -55.17 -38.96 68.99 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.832 0.349 . . . . 0.0 111.099 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.28 -23.46 68.24 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.068 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -77.74 -27.0 50.35 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 -179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.584 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 34.3 mt -73.86 -31.72 63.3 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.604 170.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 57' ' ' THR . 30.4 mt -66.68 -27.37 67.6 Favored 'General case' 0 C--O 1.22 -0.49 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.896 177.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.888 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 60.4 t -52.06 -59.5 8.2 Favored Pre-proline 0 CA--C 1.54 0.578 0 CA-C-O 119.391 -0.338 . . . . 0.0 111.103 177.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.888 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 31.3 Cg_exo -61.62 -37.74 66.98 Favored 'Trans proline' 0 C--N 1.355 0.901 0 C-N-CA 122.439 2.092 . . . . 0.0 112.847 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.474 HD12 HD23 ' A' ' 61' ' ' LEU . 78.5 mt -62.7 -51.15 75.63 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 CA-C-O 121.006 0.431 . . . . 0.0 110.963 178.6 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -67.85 -23.86 65.2 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.64 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.547 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 79.8 tttt -61.49 -37.2 82.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.006 173.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 63' ' ' PRO . 37.4 mt -77.11 -30.56 17.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.38 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.5 -41.32 98.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.526 174.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -76.69 -9.96 59.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.754 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 30.6 tp -76.76 -24.36 52.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.435 175.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.87 -17.74 15.16 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.611 -0.722 . . . . 0.0 113.086 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -104.6 93.55 4.83 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.882 0.372 . . . . 0.0 111.255 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.49 -40.9 93.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.671 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -62.18 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.726 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 39.8 mt -65.54 -37.17 79.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.51 -0.313 . . . . 0.0 110.595 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -49.51 76.82 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.056 0.455 . . . . 0.0 110.328 175.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 68.1 mtm -66.79 -34.82 78.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.521 178.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 59.2 mtm-85 -77.36 -34.15 55.12 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.684 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 84.7 t -71.84 -34.23 50.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 173.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.5 tttm -61.67 -34.49 75.82 Favored 'General case' 0 C--O 1.223 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.792 171.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.62 -45.52 82.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.793 -0.185 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.684 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.9 m-85 -52.32 -53.33 45.76 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.563 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -60.01 -33.39 71.92 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.535 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 96.5 m -59.41 -44.25 92.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.779 0.324 . . . . 0.0 110.84 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.31 -38.46 81.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.96 0.409 . . . . 0.0 110.303 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 77.6 mt -65.41 -42.65 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.537 178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.569 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.6 mtt -63.11 -38.06 89.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.533 178.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.17 -40.98 99.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.139 0.495 . . . . 0.0 110.044 178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -64.93 -41.38 95.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.542 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.98 -33.92 73.98 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.519 -0.764 . . . . 0.0 111.285 177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' MET . 58.1 t -62.59 -48.37 88.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.293 176.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -65.4 -34.43 78.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.52 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 45.9 tt0 -78.64 -0.31 29.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.275 179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 62.6 tttt 64.14 25.82 13.77 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.258 -0.883 . . . . 0.0 111.394 174.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.621 ' SD ' HG21 ' A' ' 16' ' ' VAL . 46.4 mtm -79.7 -49.1 12.58 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.615 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.478 HD12 ' HD3' ' A' ' 100' ' ' PRO . 21.6 pt -107.18 -5.39 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.41 -178.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.478 ' HG2' ' CD2' ' A' ' 98' ' ' PHE . 41.1 ttt-85 72.25 -61.18 0.5 Allowed 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.702 0.626 . . . . 0.0 111.744 176.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 97' ' ' ARG . 25.3 m-85 -121.78 171.76 8.65 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 176.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -96.02 108.72 42.74 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.605 -177.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.478 ' HD3' HD12 ' A' ' 96' ' ' ILE . 38.9 Cg_exo -61.61 -44.41 22.08 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.963 2.442 . . . . 0.0 112.611 -177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.62 -45.1 89.93 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.979 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -70.52 -47.17 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.864 -179.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -74.74 -20.22 59.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.174 -171.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.539 HD23 HG21 ' A' ' 57' ' ' THR . 2.8 tm? -55.89 -42.97 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.175 0.512 . . . . 0.0 110.173 177.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -79.0 6.1 10.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.855 -175.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.56 9.16 3.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.432 -0.89 . . . . 0.0 112.883 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.15 -23.05 59.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.112 0.482 . . . . 0.0 111.119 -178.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 31.6 m -103.1 144.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.472 179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 61.04 86.13 0.11 Allowed 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.328 0.585 . . . . 0.0 110.679 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -109.62 115.42 29.86 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.231 0.538 . . . . 0.0 111.048 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 96.2 mt -86.37 140.02 30.41 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 173.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.61 150.31 48.64 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.716 -0.394 . . . . 0.0 109.995 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 45.5 m80 -63.86 -27.59 69.27 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.849 -176.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -98.29 107.27 19.7 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.367 -0.975 . . . . 0.0 108.367 167.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -74.17 69.5 1.53 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.401 0.619 . . . . 0.0 111.627 -174.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 13.1 t-80 -140.25 -8.62 1.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.702 176.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -136.36 121.94 19.61 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.134 0.492 . . . . 0.0 111.841 -177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 68.8 t60 . . . . . 0 C--O 1.247 0.971 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 170.633 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttp . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.815 0.341 . . . . 0.0 110.228 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.7 m -146.09 112.06 5.68 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.117 178.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.6 m -85.18 179.0 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -101.96 9.92 40.12 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.121 0.486 . . . . 0.0 110.645 -176.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -84.03 162.4 20.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.281 -176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.29 -23.38 66.37 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.091 -179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 7' ' ' ARG . 40.7 ttt-85 -62.67 -28.79 70.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.498 177.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -83.58 87.83 7.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.391 0.615 . . . . 0.0 109.43 177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -84.07 106.65 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.716 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 p -83.92 21.55 1.3 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.46 -178.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.439 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 68.8 mtm180 -116.6 19.49 14.56 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.268 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.36 143.54 57.1 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.707 -178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.4 t80 -53.04 -34.4 56.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.583 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.6 mtmm -55.45 -55.87 26.79 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.188 0.518 . . . . 0.0 111.17 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 m -68.04 -40.53 82.86 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.043 -175.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.4 t -73.37 -41.08 57.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.591 -175.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -33.54 75.9 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.957 0.408 . . . . 0.0 110.534 175.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -73.59 -41.95 62.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.901 -179.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 9.5 p -69.95 -31.1 68.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.119 0.485 . . . . 0.0 110.241 176.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.27 -47.77 82.87 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.85 171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -63.81 -28.67 70.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.008 0.432 . . . . 0.0 111.033 178.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.24 -23.63 40.71 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.701 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -98.89 -40.7 7.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.986 0.422 . . . . 0.0 111.489 -178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 15.1 tptp -73.94 123.54 24.47 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.915 -175.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.3 p -132.15 93.26 3.24 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 172.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.0 m -127.47 -44.09 1.56 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.179 -174.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.667 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 6.9 m-90 -91.5 175.69 6.82 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.136 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.4 m -69.66 151.28 46.07 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 173.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -53.35 -46.22 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -54.41 -53.81 49.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.736 -0.666 . . . . 0.0 111.576 178.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.448 ' O ' HG23 ' A' ' 35' ' ' VAL . 74.7 t80 -70.09 -44.83 68.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 -175.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.667 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.3 tt0 -70.78 -30.46 66.94 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.699 -176.283 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -63.55 -40.31 96.66 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 172.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.4 m -65.15 -33.57 76.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.141 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.461 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.9 t -63.49 -46.04 96.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.24 174.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.3 t-105 -57.8 -50.11 74.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.771 178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -65.59 -33.15 75.24 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -64.25 -38.74 92.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.928 176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.557 ' O ' ' HB2' ' A' ' 44' ' ' PHE . 96.8 mt -60.48 -55.73 29.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.867 173.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -52.13 -39.15 59.5 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.717 0.636 . . . . 0.0 111.21 -179.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.6 m -69.06 -58.07 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.584 -177.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -99.48 -59.24 1.76 Allowed 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -171.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -101.13 55.78 0.84 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.27 0.557 . . . . 0.0 110.778 -167.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.881 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.3 OUTLIER -144.43 -48.19 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.036 -177.636 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.881 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 37.7 Cg_endo -67.97 -43.89 4.53 Favored 'Trans proline' 0 C--N 1.353 0.815 0 C-N-CA 121.618 1.545 . . . . 0.0 113.033 -177.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -62.94 -52.19 63.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.125 0.488 . . . . 0.0 111.244 -175.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.895 ' HA ' ' HD2' ' A' ' 50' ' ' LYS . 9.6 pt -97.13 7.25 7.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.034 -175.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -60.62 -45.76 95.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 121.197 -0.525 . . . . 0.0 113.733 -172.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -104.22 18.81 21.36 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.845 0.355 . . . . 0.0 111.118 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.895 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 45.2 mttm -89.07 153.15 21.22 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.245 176.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -72.81 -3.48 25.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.928 -175.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.599 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 72.5 -42.79 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 O-C-N 123.525 0.516 . . . . 0.0 111.195 -178.103 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -74.94 -18.95 60.32 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.272 0.558 . . . . 0.0 109.969 175.696 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -73.71 -25.89 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.286 175.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.684 HD21 ' HD3' ' A' ' 50' ' ' LYS . 92.3 mt -66.28 108.46 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.574 -0.739 . . . . 0.0 112.002 -173.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -80.87 160.93 24.62 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.893 -1.049 . . . . 0.0 108.472 173.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.559 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 31.1 m -51.99 -45.54 64.54 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.967 0.413 . . . . 0.0 110.763 178.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.567 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -72.17 -26.28 72.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.31 -178.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -76.12 -19.82 58.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.247 0.546 . . . . 0.0 109.918 -178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 22.5 mt -87.43 -33.29 19.12 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.2 171.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 57' ' ' THR . 56.7 mt -63.98 -31.35 72.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.435 -179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 58' ' ' GLY . 45.3 t -65.24 -48.99 67.54 Favored Pre-proline 0 C--O 1.22 -0.486 0 CA-C-O 119.13 -0.462 . . . . 0.0 111.934 -178.208 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.524 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 71.3 Cg_exo -51.81 -46.58 31.22 Favored 'Trans proline' 0 C--N 1.353 0.801 0 C-N-CA 121.978 1.785 . . . . 0.0 112.373 169.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 69.4 mt -61.11 -40.58 86.23 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-O 121.407 0.622 . . . . 0.0 110.037 176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 68' ' ' GLU . 43.0 tttp -71.99 -22.97 61.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.876 179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.524 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 76.5 tttt -67.27 -29.92 69.66 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.284 173.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 52.0 mt -80.74 -31.23 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.22 173.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.421 ' HB2' ' O ' ' A' ' 65' ' ' LYS . 55.3 mt-10 -58.31 -44.67 88.69 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.656 0.741 . . . . 0.0 109.176 167.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -64.84 -21.6 66.82 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.471 -1.24 . . . . 0.0 110.887 178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 35.1 tp -76.19 -15.35 60.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.054 176.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 87.54 18.02 57.58 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.827 -0.701 . . . . 0.0 111.973 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -126.37 89.64 3.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.796 0.332 . . . . 0.0 111.431 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.505 ' O ' ' HG2' ' A' ' 77' ' ' MET . 75.8 mt -64.68 -51.26 63.44 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.927 175.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -50.21 -46.92 54.94 Favored 'General case' 0 C--N 1.328 -0.364 0 O-C-N 123.389 0.431 . . . . 0.0 111.369 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.421 ' O ' HG23 ' A' ' 79' ' ' VAL . 44.2 mm -64.02 -42.35 95.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.6 -44.94 93.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.056 179.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 73' ' ' LEU . 12.9 mmm -60.09 -45.09 94.08 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.121 0.486 . . . . 0.0 109.93 178.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.68 -42.72 98.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.562 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 69.3 t -64.99 -37.52 80.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 178.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt -60.36 -40.63 91.47 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.713 -0.476 . . . . 0.0 109.713 174.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.96 -44.55 95.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.775 179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 16.9 m-85 -58.65 -50.36 74.15 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-O 121.005 0.431 . . . . 0.0 109.903 174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.505 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.66 -41.72 82.06 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.103 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.4 HG23 HD22 ' A' ' 99' ' ' ASN . 96.2 m -55.58 -41.22 73.03 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.081 178.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.54 -39.48 85.0 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.473 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 64.3 mt -68.91 -39.62 80.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.558 178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.505 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.2 mtt -63.17 -35.45 80.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.32 177.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 36.5 ttt180 -61.11 -40.69 94.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.588 0.708 . . . . 0.0 109.821 176.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -69.32 -34.67 75.0 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.826 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.19 -37.96 81.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.484 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 87' ' ' MET . 91.3 t -63.53 -39.7 86.29 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 CA-C-O 120.937 0.398 . . . . 0.0 110.163 176.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -65.17 -33.57 76.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.932 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -85.22 0.39 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.861 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.1 tttm 64.76 22.66 12.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.668 176.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.609 ' SD ' HG21 ' A' ' 16' ' ' VAL . 32.3 mtm -74.54 -44.02 53.04 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.118 0.485 . . . . 0.0 110.16 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.4 HG23 HG23 ' A' ' 52' ' ' ILE . 36.0 pt -114.96 157.74 15.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.483 179.185 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 28.6 mtm180 -56.37 -59.14 5.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.497 175.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 51.1 t80 -162.58 179.62 7.61 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.521 -1.289 . . . . 0.0 107.521 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.4 HD22 HG23 ' A' ' 84' ' ' THR . 2.6 m-20 -69.49 107.22 2.0 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 176.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.459 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 38.6 Cg_exo -61.01 -26.9 83.93 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.436 2.091 . . . . 0.0 111.329 -177.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.08 -22.5 66.96 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.096 -0.957 . . . . 0.0 110.818 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -101.39 -30.23 11.58 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.06 177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.33 -50.0 74.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 121.014 0.435 . . . . 0.0 110.209 175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' HB2' HG21 ' A' ' 57' ' ' THR . 45.3 tp -81.67 -30.05 32.85 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.235 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 65.3 -83.73 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.836 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.89 27.79 0.35 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.22 -0.752 . . . . 0.0 111.22 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -75.54 108.74 8.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 0.0 110.511 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.42 109.03 20.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.935 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -68.3 -45.48 72.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.608 -179.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -104.67 96.09 6.34 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 175.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.59 -42.96 99.88 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.678 -172.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -71.66 97.19 1.69 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.221 0.534 . . . . 0.0 110.175 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 67.7 m80 -69.14 111.43 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.284 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -95.77 114.72 26.49 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.648 176.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 42.6 m80 -75.27 -33.18 61.24 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.353 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -81.81 82.98 7.3 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.622 -0.511 . . . . 0.0 109.622 175.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -81.43 113.12 19.29 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.878 -176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 77.1 t60 . . . . . 0 C--O 1.247 0.93 0 CA-C-O 118.354 -0.832 . . . . 0.0 109.169 170.43 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.1 mttt . . . . . 0 N--CA 1.481 1.122 0 CA-C-O 120.769 0.319 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.1 m -146.1 157.95 43.86 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.962 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 57.6 t -103.79 -51.88 8.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.132 176.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -96.19 167.65 11.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.165 0.507 . . . . 0.0 111.303 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' A' ' 8' ' ' ASN . 2.4 mm-40 -86.35 162.06 18.39 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.676 -175.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.4 mttp -80.36 -38.14 31.03 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 170.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -81.21 -7.23 59.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.254 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.405 ' H ' ' HB3' ' A' ' 5' ' ' GLU . 5.3 t30 59.08 71.03 0.61 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.032 -0.985 . . . . 0.0 110.658 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -90.67 112.9 24.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.645 178.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 26.7 m -141.18 125.07 17.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.02 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.569 ' HG3' ' SD ' ' A' ' 95' ' ' MET . 49.2 ttp85 -80.9 61.65 4.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.961 0.886 . . . . 0.0 109.734 178.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -125.87 148.56 49.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.681 -1.145 . . . . 0.0 109.269 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.482 ' HB2' HG12 ' A' ' 52' ' ' ILE . 38.9 t80 -52.31 -37.83 56.82 Favored 'General case' 0 C--N 1.329 -0.311 0 O-C-N 123.473 0.483 . . . . 0.0 110.984 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.16 -57.17 14.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.539 -177.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.5 m -68.08 -34.95 77.39 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.135 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.611 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.7 t -73.46 -37.07 49.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.062 -179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.81 -37.77 77.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.869 0.366 . . . . 0.0 110.421 174.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -59.02 -47.42 85.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.374 174.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 61.8 m -64.51 -39.39 93.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.678 178.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.3 t90 -61.91 -45.21 94.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.216 177.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 93.3 t80 -56.63 -35.64 68.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.047 179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.36 -3.01 58.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.624 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 57.0 m -109.28 -39.24 5.28 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 0.0 110.979 -179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -90.9 69.04 6.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.801 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 23.0 p -84.91 49.97 1.84 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.34 0.59 . . . . 0.0 110.923 179.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 29.8 m -82.97 -18.97 38.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.977 -177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 4.0 m-90 -122.25 171.86 8.72 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 -179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.7 p -69.13 156.48 38.62 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 177.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -55.98 -36.56 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -61.37 -52.3 65.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.581 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -69.68 -35.48 75.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.073 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.498 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 35.3 mt-30 -59.25 -40.8 87.1 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.54 176.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt180 -65.9 -36.87 84.59 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.3 m -61.71 -46.58 89.04 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 174.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 91.7 t -59.27 -49.78 82.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.104 175.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -57.81 -43.78 85.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.113 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 94.6 m -61.64 -49.32 77.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.224 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -70.32 -27.03 64.05 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.822 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 66.4 mt -62.72 -51.27 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 171.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 36.4 mt-10 -67.27 -18.05 65.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.668 -179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 61.7 m -90.15 -52.28 5.02 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 51.9 m-85 -99.55 -33.96 10.44 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -173.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.529 ' HG ' HD11 ' A' ' 47' ' ' ILE . 17.3 tp -115.82 31.78 6.5 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 -168.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.785 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 0.5 OUTLIER -132.95 -49.4 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.513 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 -177.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.785 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 60.8 Cg_endo -72.91 -17.33 25.42 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 121.667 1.578 . . . . 0.0 113.17 -174.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -95.75 -33.55 12.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.325 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 HG22 HD22 ' A' ' 55' ' ' LEU . 2.9 pt -108.06 -3.32 10.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.241 0.543 . . . . 0.0 111.158 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.94 153.7 50.22 Favored Glycine 0 N--CA 1.444 -0.812 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 10.1 p30 46.32 25.42 0.37 Allowed 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.579 0.751 . . . . 0.0 111.773 -174.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.4 tptp -121.17 28.0 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 15.8 t70 63.17 -124.32 0.59 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.538 -177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.482 HG12 ' HB2' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -175.4 -32.03 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 176.098 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.8 -17.29 59.92 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 121.213 0.53 . . . . 0.0 110.047 176.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.03 -27.45 60.94 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.593 174.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.597 HD22 HG22 ' A' ' 47' ' ' ILE . 57.2 mt -67.56 95.02 0.45 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.493 -169.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -91.26 -171.46 2.97 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.743 176.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.601 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 19.0 m -56.0 -45.1 79.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.634 0.254 . . . . 0.0 110.374 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.447 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.44 -45.37 96.53 Favored Glycine 0 CA--C 1.52 0.374 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.875 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -58.33 -37.46 75.17 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 111.35 -178.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.592 HD13 ' HE1' ' A' ' 87' ' ' MET . 67.8 mt -84.9 -28.36 26.01 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.182 -177.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 57' ' ' THR . 49.8 mt -62.78 -31.47 72.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.792 176.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 56.3 t -55.71 -63.01 3.6 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-O 119.421 -0.323 . . . . 0.0 111.754 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.512 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -61.06 -34.95 89.29 Favored 'Trans proline' 0 C--N 1.355 0.908 0 C-N-CA 121.955 1.77 . . . . 0.0 112.959 179.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.75 -44.69 93.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.26 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.536 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -67.87 -31.92 72.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.553 0.692 . . . . 0.0 109.815 178.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 86.7 tttt -56.66 -40.02 74.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.809 -1.087 . . . . 0.0 110.816 177.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.402 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 27.8 mt -82.54 -35.53 12.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.028 0.442 . . . . 0.0 110.516 176.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -56.42 -56.08 25.56 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.261 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -75.77 -5.7 47.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.559 -178.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.498 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 32.6 tp -76.93 -24.02 52.42 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.658 177.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.54 11.29 19.89 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.738 178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 66.2 m-85 -124.5 100.08 6.49 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.787 0.327 . . . . 0.0 110.475 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 73' ' ' LEU . 36.1 mt -79.05 -46.16 18.69 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.872 -177.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 29.7 mt-10 -70.39 -36.89 74.38 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.549 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.503 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 44.8 mm -59.34 -46.62 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 176.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.402 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -61.21 -41.43 96.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.752 176.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 29.5 tpp -65.8 -39.12 90.61 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.02 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 96.4 mtt180 -71.41 -40.09 70.71 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 75' ' ' ILE . 93.9 t -66.05 -34.74 72.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 175.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -59.12 -41.17 87.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.133 172.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -63.31 -47.98 80.01 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.673 178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' O ' HG13 ' A' ' 86' ' ' ILE . 11.6 m-85 -58.62 -46.15 87.67 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.03 0.443 . . . . 0.0 109.825 176.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.572 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -59.23 -47.56 84.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.157 178.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.0 m -57.91 -38.71 76.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.918 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.32 93.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.533 177.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 82' ' ' TYR . 67.0 mt -64.79 -42.29 94.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.115 175.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.592 ' HE1' HD13 ' A' ' 60' ' ' LEU . 63.2 mtt -60.93 -40.23 92.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 54.1 ttt-85 -58.76 -43.95 90.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.353 0.597 . . . . 0.0 109.884 177.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -65.04 -39.34 93.19 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.737 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.22 -37.57 87.96 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.651 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.552 HG23 ' O ' ' A' ' 87' ' ' MET . 99.2 t -63.87 -39.82 86.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.905 0.383 . . . . 0.0 110.387 177.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -71.02 -28.2 64.23 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.765 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -85.7 2.46 45.25 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.087 175.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 63.5 mttm 65.69 21.76 11.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.1 175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.611 ' SD ' HG21 ' A' ' 16' ' ' VAL . 40.2 mtm -79.48 -35.72 39.81 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.875 -178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.6 pt -126.15 171.35 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.664 -179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 44.6 mtm-85 -83.33 -65.21 1.04 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.161 -177.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.522 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 85.2 m-85 -137.1 -169.14 2.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.282 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.491 HD22 ' CB ' ' A' ' 87' ' ' MET . 7.2 m120 -103.3 99.59 15.3 Favored Pre-proline 0 C--N 1.328 -0.359 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.548 ' HA ' ' HB2' ' A' ' 103' ' ' ASP . 24.6 Cg_exo -65.3 -16.7 55.78 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 123.027 2.485 . . . . 0.0 113.116 -177.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.28 -37.58 86.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.901 -176.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -121.32 16.71 11.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.279 0.561 . . . . 0.0 110.113 177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.548 ' HB2' ' HA ' ' A' ' 100' ' ' PRO . 26.8 t70 -66.89 -14.48 62.8 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.445 179.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 105' ' ' GLU . 12.0 mt -73.01 -10.09 59.43 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.419 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 104' ' ' LEU . 39.9 tt0 72.59 -58.77 0.58 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 123.564 0.746 . . . . 0.0 111.051 -179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 176.1 42.02 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.025 -178.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.18 -19.35 63.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.903 0.382 . . . . 0.0 111.378 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 37.5 t -83.31 93.61 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.131 0.491 . . . . 0.0 110.038 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -119.56 156.65 29.91 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.46 -177.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -94.21 -6.55 44.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.219 0.533 . . . . 0.0 109.642 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.74 -32.15 62.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.243 177.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.597 ' OE2' ' HA ' ' A' ' 115' ' ' HIS . 17.4 tt0 -113.02 108.28 17.13 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -63.22 -34.84 78.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.12 -170.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.3 t60 -137.6 97.56 3.48 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.366 -0.975 . . . . 0.0 108.366 172.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.597 ' HA ' ' OE2' ' A' ' 112' ' ' GLU . 3.5 t60 -53.79 126.13 20.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.669 -176.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . 0.454 ' O ' ' HD2' ' A' ' 115' ' ' HIS . 95.9 m-70 -66.6 139.43 57.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.001 -179.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.5 m-70 -84.61 1.69 44.92 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.094 0.473 . . . . 0.0 110.429 -179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 45.2 t60 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.32 -0.848 . . . . 0.0 109.776 179.314 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.3 mttm . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.4 p -86.84 163.76 17.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.229 178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.3 t -61.59 -62.32 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.254 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 90.9 mt-30 -88.71 128.86 35.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.978 0.418 . . . . 0.0 111.398 -177.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -72.62 157.1 38.2 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.89 174.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -76.85 -43.89 34.43 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 52.15 68.01 0.88 Allowed 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.364 -176.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -67.97 104.67 1.79 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.015 0.436 . . . . 0.0 109.866 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -101.65 111.95 24.37 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.876 -175.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 12.4 p -94.0 168.47 10.94 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.771 175.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 86.6 mtm180 -82.5 56.96 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.504 0.668 . . . . 0.0 110.354 178.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -107.02 139.08 41.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.127 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 30.9 t80 -56.16 -40.99 74.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.805 -172.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -72.04 -34.16 68.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.148 -176.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 11.8 m -71.94 -41.82 67.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.347 0.594 . . . . 0.0 110.163 178.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG21 ' HE1' ' A' ' 95' ' ' MET . 83.1 t -71.26 -35.5 58.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.744 178.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.84 -31.78 72.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.708 174.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -63.67 -47.44 81.24 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 176.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.0 p -68.87 -28.9 67.11 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.991 177.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.5 t90 -67.11 -44.11 80.75 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 174.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.6 t80 -63.13 -35.61 80.85 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.55 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.92 -14.08 59.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.684 -179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.5 p -108.18 2.36 22.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.007 0.432 . . . . 0.0 110.909 177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -101.05 106.4 17.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.049 0.452 . . . . 0.0 110.359 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 p -116.4 19.72 14.58 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.222 177.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 p -83.6 -37.12 23.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.607 -175.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m0 -92.18 160.01 15.38 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.18 176.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.5 m -70.0 143.27 52.63 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 173.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -51.42 -42.21 61.32 Favored 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.341 0.401 . . . . 0.0 112.005 -176.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -59.85 -54.45 46.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.35 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.3 t80 -66.51 -39.4 88.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -71.97 -26.47 62.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.754 0.312 . . . . 0.0 110.287 -177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -62.43 -42.49 99.49 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 172.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.4 m -63.2 -37.41 87.11 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.555 175.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.584 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 94.0 t -57.39 -54.45 30.65 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.306 176.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.7 -41.15 94.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.964 179.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.4 m -63.82 -46.08 86.71 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 45.5 ttm180 -60.82 -38.76 86.54 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.309 177.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.584 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 87.5 mt -59.34 -58.5 8.34 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.887 177.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD2' ' A' ' 44' ' ' PHE . 7.9 pt-20 -64.06 -20.11 65.7 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -174.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 84.9 m -73.35 -56.27 5.29 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.517 178.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.0 m-85 -96.96 -32.51 11.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.397 0.618 . . . . 0.0 111.515 -173.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.555 ' O ' ' HD3' ' A' ' 45' ' ' PRO . 12.1 tp -107.15 160.22 15.74 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 -175.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' HB2' ' O ' ' A' ' 43' ' ' LEU . 23.2 m-30 101.84 -38.72 0.0 OUTLIER Pre-proline 0 N--CA 1.485 1.295 0 N-CA-C 115.246 1.573 . . . . 0.0 115.246 175.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.555 ' HD3' ' O ' ' A' ' 43' ' ' LEU . 38.3 Cg_exo -58.3 -34.1 98.31 Favored 'Trans proline' 0 C--N 1.358 1.066 0 CA-C-N 122.169 1.81 . . . . 0.0 111.778 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -88.92 -70.02 0.67 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.573 -0.739 . . . . 0.0 110.675 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.551 HD11 ' HG ' ' A' ' 43' ' ' LEU . 19.6 pt -77.5 -13.41 14.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.38 -0.827 . . . . 0.0 112.623 -170.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.92 -26.34 29.42 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.46 -0.876 . . . . 0.0 112.096 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 -95.78 -13.33 24.19 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.462 0.648 . . . . 0.0 109.756 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -96.53 147.96 23.32 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.11 176.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.466 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 16.5 t70 -63.31 132.54 51.9 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 175.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -63.38 -26.36 40.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.062 -172.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.64 -4.69 59.23 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.112 0.482 . . . . 0.0 110.743 -178.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 65.6 mt-10 -105.94 23.29 14.22 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.083 177.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 95.0 mt -103.79 128.23 51.22 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.901 -179.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -107.13 176.51 5.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 176.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.52 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.2 m -54.72 -42.82 72.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.862 0.363 . . . . 0.0 110.159 178.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -62.88 -37.71 95.34 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.637 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.6 -38.19 86.69 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 120.796 0.331 . . . . 0.0 110.958 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 47' ' ' ILE . 40.9 mt -78.8 -31.63 46.01 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.359 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.524 HD21 HD22 ' A' ' 104' ' ' LEU . 41.7 mt -67.55 -26.62 66.39 Favored 'General case' 0 C--O 1.219 -0.54 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.545 179.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' GLY . 51.2 t -57.2 -59.94 11.2 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 120.987 -0.285 . . . . 0.0 111.313 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.491 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 20.5 Cg_endo -63.2 -36.04 59.99 Favored 'Trans proline' 0 C--N 1.354 0.856 0 C-N-CA 121.951 1.767 . . . . 0.0 112.882 176.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.492 HD13 ' HE2' ' A' ' 80' ' ' LYS . 75.6 mt -64.44 -44.85 97.07 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-O 120.894 0.378 . . . . 0.0 110.475 177.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -61.32 -37.53 83.6 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.43 177.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 54.5 tttp -52.72 -47.64 67.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.683 175.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 20.4 mt -76.96 -35.44 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.989 0.423 . . . . 0.0 110.904 -179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -62.66 -42.39 99.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.99 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -72.86 -21.97 60.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 175.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 15.2 tp -69.38 -22.72 63.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 109.819 -178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 102.91 -12.25 56.13 Favored Glycine 0 N--CA 1.447 -0.581 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.397 176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.555 ' HB3' HD13 ' A' ' 75' ' ' ILE . 94.4 m-85 -94.11 85.51 4.72 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.2 0.524 . . . . 0.0 110.725 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.586 ' O ' ' HG3' ' A' ' 77' ' ' MET . 84.7 mt -67.38 -38.45 84.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.031 -178.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.493 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 27.4 mm-40 -59.06 -50.27 74.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.52 0.2 . . . . 0.0 110.848 179.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.555 HD13 ' HB3' ' A' ' 72' ' ' TYR . 2.1 mp -59.78 -44.99 95.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.142 178.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.62 -46.11 89.94 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.336 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.586 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 62.9 mtm -67.87 -40.71 83.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.943 -178.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 86.4 mtt180 -67.29 -42.3 83.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.929 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 75' ' ' ILE . 70.8 t -63.0 -39.09 83.87 Favored 'Isoleucine or valine' 0 C--O 1.232 0.133 0 CA-C-O 120.92 0.391 . . . . 0.0 110.017 176.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.492 ' HE2' HD13 ' A' ' 64' ' ' ILE . 37.3 ttmt -60.92 -37.8 83.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.095 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 81.3 mm-40 -65.62 -48.6 71.68 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.869 176.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.454 ' O ' HG13 ' A' ' 86' ' ' ILE . 13.6 m-85 -57.28 -46.32 83.24 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 121.006 0.431 . . . . 0.0 110.098 177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.728 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -60.02 -45.62 92.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.807 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 85.1 m -57.39 -37.3 72.47 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.771 0.319 . . . . 0.0 111.229 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.22 -42.43 88.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.991 0.424 . . . . 0.0 110.301 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.454 HG13 ' O ' ' A' ' 82' ' ' TYR . 57.4 mt -66.81 -35.94 75.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.413 178.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.728 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 25.9 mmt -55.28 -48.89 73.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.841 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.466 HH11 ' HD2' ' A' ' 88' ' ' ARG . 13.1 ttp180 -69.1 -32.57 72.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.285 -177.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -65.14 -38.35 90.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 174.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.71 78.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.08 176.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 87' ' ' MET . 87.8 t -63.9 -39.91 87.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.185 176.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -62.5 -40.2 95.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.535 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -80.18 1.21 29.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.249 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 62.78 32.98 15.69 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.53 177.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.572 ' HE3' HG21 ' A' ' 52' ' ' ILE . 41.4 mtm -81.88 -52.6 6.93 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.584 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.4 pt -107.22 163.17 5.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -68.57 -56.52 8.01 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.789 -0.641 . . . . 0.0 109.922 178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -162.15 164.79 27.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -59.38 111.91 4.45 Favored Pre-proline 0 N--CA 1.465 0.321 0 O-C-N 123.205 0.316 . . . . 0.0 111.42 -178.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -73.56 -11.16 24.22 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.049 2.499 . . . . 0.0 111.96 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.69 -12.43 61.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.397 -179.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -81.84 -25.6 35.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.094 0.474 . . . . 0.0 110.028 174.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.03 -33.84 74.27 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.429 -179.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.524 HD22 HD21 ' A' ' 61' ' ' LEU . 4.4 pp -79.93 -7.75 58.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -83.6 -17.69 40.77 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 174.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -72.99 -18.64 79.22 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 110.708 -0.957 . . . . 0.0 110.708 172.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -67.36 111.41 4.02 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.6 m -93.6 145.72 7.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.279 0.561 . . . . 0.0 111.809 -174.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -86.52 -28.91 23.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.43 -0.804 . . . . 0.0 109.415 177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -118.1 125.96 51.32 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.395 -0.821 . . . . 0.0 110.099 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 69.2 mt -98.92 137.73 37.06 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.774 -175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -74.78 136.64 41.67 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 172.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -55.91 -54.42 44.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.027 0.441 . . . . 0.0 110.909 -173.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 17.4 t60 -112.17 136.15 51.94 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -83.92 25.99 0.76 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 -170.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 81.6 m-70 67.73 -76.68 0.05 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 123.473 0.709 . . . . 0.0 111.351 176.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 175.31 -29.12 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.147 -0.478 . . . . 0.0 109.832 -177.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 76.1 t60 . . . . . 0 C--O 1.247 0.945 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.106 -176.531 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.0 mttp . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -81.65 70.65 8.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.236 0.541 . . . . 0.0 110.394 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.6 m -105.79 -172.78 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.813 -0.63 . . . . 0.0 112.198 -173.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -81.44 -34.64 31.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.677 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.9 mp0 -62.42 -31.27 71.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.69 -172.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -83.29 5.4 23.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.709 0.29 . . . . 0.0 111.343 -177.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.402 ' HD3' HH11 ' A' ' 7' ' ' ARG . 56.6 mtt-85 -91.45 -20.23 21.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.111 0.482 . . . . 0.0 110.138 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -111.63 84.06 1.89 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.763 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.04 83.18 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 17.8 p -80.35 157.27 26.39 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.902 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -91.63 27.09 2.12 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.052 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.95 144.82 45.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.519 174.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 17.7 t80 -52.51 -40.05 61.99 Favored 'General case' 0 C--O 1.223 -0.317 0 O-C-N 123.253 0.346 . . . . 0.0 110.248 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -58.46 -55.6 32.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.204 0.526 . . . . 0.0 111.106 -179.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.8 m -62.63 -45.27 93.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.955 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 95' ' ' MET . 95.9 t -70.07 -35.77 65.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.42 -177.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.54 -37.92 79.67 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.557 0.217 . . . . 0.0 110.813 176.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.6 tttm -77.87 -27.56 49.75 Favored 'General case' 0 C--O 1.233 0.232 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.495 179.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.9 t -67.12 -41.76 85.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.446 ' HH2' ' HZ3' ' A' ' 27' ' ' TRP . 80.7 t90 -63.67 -42.83 98.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.03 174.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -58.11 -28.87 65.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.807 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.29 -39.4 19.25 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.8 m -75.38 -34.91 61.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.179 0.514 . . . . 0.0 111.003 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.8 tptt -106.76 98.12 7.82 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.56 -176.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.8 p -123.77 32.98 5.43 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.125 0.488 . . . . 0.0 111.139 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.4 m -65.05 -37.0 86.14 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.484 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.456 ' HB2' ' HB2' ' A' ' 32' ' ' GLN . 8.8 m0 -74.6 160.38 30.93 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.892 -178.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.0 p -70.14 147.48 49.86 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 173.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -59.64 -18.22 39.99 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-O 120.606 0.241 . . . . 0.0 111.512 -178.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -67.69 -61.22 1.99 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.467 0.651 . . . . 0.0 109.835 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.516 ' O ' HG23 ' A' ' 35' ' ' VAL . 76.2 t80 -70.02 -42.3 73.15 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.997 -177.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' HB2' ' HB2' ' A' ' 27' ' ' TRP . 50.5 tt0 -68.75 -35.53 77.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.63 -174.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.7 ttt180 -66.69 -36.78 83.32 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 175.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.8 m -61.36 -38.58 87.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.83 -0.623 . . . . 0.0 109.868 173.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 92.6 t -59.67 -47.55 90.73 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.131 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.607 175.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.464 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 43.3 t-105 -57.03 -55.91 28.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.077 -179.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.443 ' HA ' ' OE1' ' A' ' 40' ' ' GLU . 36.7 m -63.3 -31.52 72.69 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 121.104 0.478 . . . . 0.0 111.016 -179.342 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -66.14 -42.74 88.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.296 176.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.8 mt -63.81 -46.74 83.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.232 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 50.4 mt-10 -53.75 -37.05 62.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.591 0.557 . . . . 0.0 111.003 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 76.0 m -74.55 -51.71 13.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.153 -175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -104.65 -45.24 4.66 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.178 0.807 . . . . 0.0 113.178 -169.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.578 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.0 tp -99.41 14.28 30.32 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.968 0.413 . . . . 0.0 111.94 -164.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 3.8 m-30 -109.25 -46.32 0.1 OUTLIER Pre-proline 0 CA--C 1.542 0.642 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 52.5 Cg_exo -52.75 -45.36 41.07 Favored 'Trans proline' 0 C--N 1.356 0.943 0 C-N-CA 122.558 2.172 . . . . 0.0 114.497 -169.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -88.15 -66.98 0.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.067 0.46 . . . . 0.0 111.42 -173.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.578 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.8 pt -77.2 -14.81 14.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 0.0 112.281 -172.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -79.07 -26.73 57.48 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.96 -176.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -88.18 -17.48 30.79 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.373 0.606 . . . . 0.0 110.566 -177.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.9 tptt -99.88 151.04 21.75 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.101 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -54.92 113.91 1.52 Allowed 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 109.99 173.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.582 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -65.8 -20.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.75 -175.205 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.21 -1.67 57.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.868 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -120.78 10.19 10.89 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.914 0.864 . . . . 0.0 109.713 179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 HD12 ' HA ' ' A' ' 52' ' ' ILE . 91.7 mt -88.93 145.64 25.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.266 -0.879 . . . . 0.0 110.143 177.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -92.65 163.27 13.84 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.557 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 6.5 m -56.2 -31.95 63.95 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.147 0.499 . . . . 0.0 109.66 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.534 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.09 -38.44 94.0 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.287 177.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -65.42 -28.17 69.06 Favored 'General case' 0 C--O 1.224 -0.276 0 CA-C-O 120.81 0.338 . . . . 0.0 110.761 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.5 mt -79.62 -38.71 33.23 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.431 0.634 . . . . 0.0 110.558 175.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' HG ' ' O ' ' A' ' 57' ' ' THR . 79.7 mt -63.95 -33.29 75.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.77 -178.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 58' ' ' GLY . 92.2 t -61.07 -55.62 42.57 Favored Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.336 0.495 . . . . 0.0 112.336 -176.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -58.68 -41.31 65.04 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.909 1.74 . . . . 0.0 112.402 175.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.421 HD13 ' HD2' ' A' ' 80' ' ' LYS . 83.2 mt -60.14 -48.35 88.36 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-O 121.571 0.701 . . . . 0.0 110.015 176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.4 tttp -62.83 -32.07 73.2 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.867 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -63.92 -34.1 77.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.601 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HB ' ' HB2' ' A' ' 76' ' ' ALA . 57.4 mt -74.38 -35.97 40.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.326 176.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -63.29 -40.47 97.46 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -64.49 -27.18 68.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.516 175.476 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 25.5 tp -68.82 -30.16 68.65 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.749 177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.21 5.57 16.95 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.741 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -120.78 97.27 5.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.108 0.48 . . . . 0.0 111.038 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 90.8 mt -70.71 -45.55 64.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.306 -177.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -59.29 -45.08 92.22 Favored 'General case' 0 CA--C 1.517 -0.324 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.942 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 79' ' ' VAL . 49.6 mm -58.07 -46.7 88.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.173 179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.447 ' HB2' ' HB ' ' A' ' 67' ' ' ILE . . . -59.99 -51.0 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.123 178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.4 mtm -63.11 -36.53 83.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.174 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.5 -44.4 74.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.637 -0.256 . . . . 0.0 110.937 178.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.486 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.0 t -61.58 -42.45 94.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.979 0.418 . . . . 0.0 110.069 177.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.421 ' HD2' HD13 ' A' ' 64' ' ' ILE . 23.7 tttm -63.88 -32.59 74.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.83 175.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -68.0 -45.71 73.3 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.486 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.9 m-85 -56.76 -47.85 79.17 Favored 'General case' 0 CA--C 1.522 -0.108 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 173.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.581 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -57.55 -39.74 77.35 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.441 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 62.0 m -59.21 -42.53 91.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 110.648 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.25 -38.02 84.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.025 0.441 . . . . 0.0 110.571 177.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 82' ' ' TYR . 69.6 mt -67.76 -35.9 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.539 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.581 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 68.2 mtt -64.91 -44.8 88.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.922 178.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 34.6 ttt-85 -63.0 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.388 0.613 . . . . 0.0 109.539 177.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -63.49 -39.4 94.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.998 175.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.401 ' HA ' ' HB2' ' A' ' 93' ' ' GLN . . . -65.32 -37.66 87.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.661 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 87' ' ' MET . 41.3 t -63.4 -39.56 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.119 0.485 . . . . 0.0 109.879 176.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.0 mt-30 -71.65 -28.54 63.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.302 177.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.401 ' HB2' ' HA ' ' A' ' 90' ' ' ALA . 18.6 mm-40 -80.17 4.65 16.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.883 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.3 tttp 67.9 24.27 8.11 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.715 0.769 . . . . 0.0 110.157 178.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.563 ' CE ' HG21 ' A' ' 16' ' ' VAL . 56.0 mtp -90.61 -71.92 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.229 -177.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 23.3 pt -97.73 145.33 9.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.46 -178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 61.6 mtt180 -75.4 -31.2 60.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.078 -174.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.425 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 83.4 m-85 -143.34 173.13 11.88 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.963 178.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.455 HD22 ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -96.35 105.62 23.67 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.668 -0.494 . . . . 0.0 109.668 179.861 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 32.1 Cg_exo -60.15 -36.75 87.57 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.175 2.583 . . . . 0.0 113.239 -175.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.46 -17.82 60.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.792 0.329 . . . . 0.0 111.41 178.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -106.01 3.83 28.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.37 178.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 52.7 t0 -167.98 106.02 0.5 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.591 0.71 . . . . 0.0 110.511 -176.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.481 ' HA ' HG21 ' A' ' 57' ' ' THR . 21.8 mt -76.81 -14.47 59.91 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 114.849 -1.068 . . . . 0.0 110.595 177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 66.39 -61.43 0.3 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 123.766 0.826 . . . . 0.0 111.18 -172.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -169.15 53.5 0.21 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.325 -177.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.79 -61.9 1.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.268 0.556 . . . . 0.0 109.926 177.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 30.9 m -111.08 -177.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 173.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 109' ' ' GLN . 35.0 tt0 65.14 13.91 9.03 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.47 0.652 . . . . 0.0 110.795 179.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 30.2 mtpp -71.18 126.46 29.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.972 177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -93.97 14.18 20.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.7 145.14 49.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.838 175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -66.12 -22.78 66.41 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.629 -170.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -73.46 -24.5 60.23 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.872 0.368 . . . . 0.0 110.092 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 38.4 t60 -103.61 123.1 46.35 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.962 0.411 . . . . 0.0 110.534 -176.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -96.28 168.09 10.79 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.005 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -88.71 -62.79 1.41 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 178.24 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 37.2 m80 . . . . . 0 C--O 1.247 0.965 0 CA-C-O 118.842 -0.599 . . . . 0.0 109.841 176.338 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 48.2 mttp . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -145.7 148.8 33.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.255 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 m -124.9 111.97 30.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.524 0.678 . . . . 0.0 110.319 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -105.43 167.77 9.52 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.739 -176.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -61.05 -57.22 13.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.594 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? 52.79 50.76 17.36 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.15 0.5 . . . . 0.0 110.995 177.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -86.04 -173.46 4.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.704 -177.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -144.79 -179.13 6.39 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.127 -178.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -85.61 118.66 25.26 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.686 0.279 . . . . 0.0 110.353 -179.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.9 t -115.88 126.79 54.4 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.4 176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 42.9 mtm180 62.26 11.04 4.19 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.91 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.05 136.7 57.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.498 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.5 t80 -52.88 -33.16 48.82 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.901 -177.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -57.29 -58.05 9.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.411 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 20.9 m -68.38 -33.51 74.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.2 -175.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG21 ' SD ' ' A' ' 95' ' ' MET . 84.0 t -74.93 -41.62 46.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.051 -178.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.31 -35.45 75.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.459 174.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 15' ' ' THR . 76.3 tttt -56.7 -46.91 80.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.602 174.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -63.74 -38.75 92.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.548 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -64.68 -47.63 77.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.406 177.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -64.1 -37.71 88.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.009 -179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.06 -34.99 73.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 94.2 m -73.52 -38.07 65.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.353 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 36.3 mttp -84.72 126.44 33.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.301 0.572 . . . . 0.0 111.873 -178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.77 18.72 2.33 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.02 177.126 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.6 p -78.94 -19.9 50.6 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.85 179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 6.0 m0 -89.4 164.18 14.97 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.587 174.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.2 p -81.07 154.64 26.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.522 178.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.07 0.462 . . . . 0.0 111.262 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -62.15 -41.27 98.11 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.825 -179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.506 ' O ' HG23 ' A' ' 35' ' ' VAL . 35.8 t80 -73.23 -43.13 61.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.246 -178.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -61.98 -38.63 89.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.255 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.3 ttt-85 -63.45 -43.94 95.92 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 26.9 m -61.47 -38.02 85.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.465 178.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.567 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.5 t -66.27 -54.81 22.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.557 176.109 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.442 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 71.6 t-105 -57.89 -51.97 67.4 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.47 -176.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 91.8 m -60.95 -39.62 90.17 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 111.102 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -66.45 -39.71 89.02 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.66 0.267 . . . . 0.0 110.464 178.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.567 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 75.1 mt -62.75 -46.69 86.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.244 176.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 47.3 mt-10 -58.95 -30.18 67.7 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.714 0.293 . . . . 0.0 111.215 178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 89.5 m -82.4 -53.86 5.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.267 -174.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 69.3 m-85 -102.03 -26.52 13.36 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 -170.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.619 ' HG ' HD11 ' A' ' 47' ' ' ILE . 43.1 tp -104.69 -56.01 2.25 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.052 0.454 . . . . 0.0 112.033 -169.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 7.3 m-30 -55.31 -43.5 99.14 Favored Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 114.619 1.341 . . . . 0.0 114.619 -175.082 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.502 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 42.3 Cg_endo -65.03 -13.39 39.5 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.943 1.762 . . . . 0.0 114.036 -170.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -109.26 -17.81 13.74 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.619 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.9 pt -123.65 -20.44 3.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -178.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -72.15 -29.1 67.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.789 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 -90.32 3.32 54.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.432 0.635 . . . . 0.0 109.728 177.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.1 tptm -94.86 172.42 8.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.285 -0.87 . . . . 0.0 108.75 179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -91.14 3.75 53.98 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 121.071 -0.252 . . . . 0.0 111.591 -174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.54 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 69.34 -44.3 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.7 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 176.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.66 -31.63 72.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.078 0.466 . . . . 0.0 111.358 -177.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -94.86 13.11 25.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.288 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.54 HD12 HD13 ' A' ' 52' ' ' ILE . 66.6 mt -82.95 84.47 7.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.265 0.555 . . . . 0.0 109.995 176.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -91.9 -174.04 3.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.95 178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.482 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.1 m -51.4 -45.26 62.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.659 -178.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.36 58.87 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.884 -176.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -72.77 -25.62 61.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.065 0.46 . . . . 0.0 110.595 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 80.0 mt -81.36 -31.06 33.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.432 0.634 . . . . 0.0 110.196 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.601 HD23 HD12 ' A' ' 64' ' ' ILE . 19.4 mt -65.03 -24.09 67.39 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.729 174.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.509 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 89.1 t -53.12 -61.93 4.19 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-O 119.44 -0.314 . . . . 0.0 111.3 177.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.509 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 17.1 Cg_endo -61.2 -34.14 89.16 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 121.579 1.519 . . . . 0.0 112.634 175.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.601 HD12 HD23 ' A' ' 61' ' ' LEU . 76.2 mt -64.45 -51.4 68.52 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.459 178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 18.5 ptpt -71.26 -20.03 62.28 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.224 0.535 . . . . 0.0 110.194 -179.482 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 83.8 tttt -62.6 -41.16 98.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.802 173.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 57.8 mt -77.89 -31.5 17.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.212 176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.466 ' HG3' HD21 ' A' ' 73' ' ' LEU . 28.7 tt0 -57.1 -47.69 80.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.323 0.582 . . . . 0.0 110.037 173.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -70.76 -17.85 62.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.626 -179.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.416 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 32.7 tp -72.56 -21.34 61.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.249 0.547 . . . . 0.0 109.794 176.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 101.94 7.63 46.87 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.046 178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 70.5 m-85 -118.58 91.37 3.54 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.011 0.434 . . . . 0.0 111.345 -176.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.466 HD21 ' HG3' ' A' ' 68' ' ' GLU . 72.0 mt -76.33 -36.7 58.12 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -178.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -63.8 -45.14 91.03 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.42 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 47.2 mm -60.48 -43.33 94.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.082 178.051 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.23 -45.24 88.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.765 177.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 30.3 mmt -64.59 -44.93 89.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.899 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 93.8 mtt-85 -61.16 -50.29 73.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.823 179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 72.5 t -61.06 -41.89 91.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.569 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ttpp -62.36 -39.61 93.71 Favored 'General case' 0 C--O 1.22 -0.459 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.28 178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -61.18 -47.86 84.22 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.752 -0.204 . . . . 0.0 111.277 -178.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.431 ' O ' HG13 ' A' ' 86' ' ' ILE . 17.5 m-85 -54.03 -51.7 63.19 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.295 0.569 . . . . 0.0 109.664 173.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.568 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.33 -38.0 85.34 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.824 -178.441 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.7 m -59.88 -39.13 84.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.964 0.411 . . . . 0.0 110.501 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.24 -36.31 82.67 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.305 176.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG13 ' O ' ' A' ' 82' ' ' TYR . 43.0 mt -70.97 -34.44 55.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.448 177.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.568 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 65.0 mtt -65.65 -47.85 74.15 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.382 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 27.2 ttp180 -71.03 -26.0 62.91 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.454 -0.498 . . . . 0.0 109.782 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -67.27 -36.86 82.45 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 172.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.08 -34.7 76.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.52 -0.764 . . . . 0.0 110.874 176.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 87' ' ' MET . 63.9 t -63.98 -40.0 87.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.144 0.497 . . . . 0.0 109.902 175.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -66.46 -33.25 75.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.812 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.76 2.73 44.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.571 175.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 77.4 tttt 61.0 39.74 16.08 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.378 174.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.623 ' SD ' HG21 ' A' ' 16' ' ' VAL . 20.0 mtm -94.2 -37.88 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.553 -179.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.9 pt -115.44 172.9 3.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.336 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 32.4 ttp-105 -78.75 -45.41 21.18 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.946 0.403 . . . . 0.0 110.693 -175.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.6 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 40.3 t80 -160.93 175.93 11.97 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 -177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.425 HD22 ' C ' ' A' ' 99' ' ' ASN . 0.2 OUTLIER -93.39 98.35 2.45 Favored Pre-proline 0 C--N 1.326 -0.423 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 179.265 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.6 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 23.5 Cg_exo -65.3 -24.02 58.49 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.065 2.51 . . . . 0.0 112.971 -172.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -68.12 -15.05 63.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.365 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -98.27 -23.38 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.694 -0.23 . . . . 0.0 110.975 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.49 ' OD2' ' HA ' ' A' ' 100' ' ' PRO . 19.9 m-20 -61.88 -33.23 73.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.928 0.394 . . . . 0.0 110.691 178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 76.3 mt -66.78 -29.31 69.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.63 178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 67.63 -61.7 0.36 Allowed 'General case' 0 N--CA 1.466 0.371 0 O-C-N 124.028 0.83 . . . . 0.0 110.844 -173.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -176.68 22.87 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -179.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.581 ' HA ' ' HG2' ' A' ' 110' ' ' LYS . . . -86.23 14.51 6.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.731 0.301 . . . . 0.0 111.447 -176.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.8 p -65.96 -29.42 46.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.921 0.391 . . . . 0.0 111.175 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 17.9 tp60 -109.43 14.8 23.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.272 0.558 . . . . 0.0 110.179 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.581 ' HG2' ' HA ' ' A' ' 107' ' ' ALA . 33.7 mmtp -98.29 116.82 31.32 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 179.419 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 88.9 mt -79.38 119.75 22.84 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.689 -176.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -61.32 125.49 23.96 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.388 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.6 m80 -79.97 80.97 6.31 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.075 0.464 . . . . 0.0 110.162 176.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -73.05 135.05 44.82 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.371 -0.832 . . . . 0.0 110.153 178.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -71.15 105.68 3.48 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.169 -176.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -82.01 90.43 6.5 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.872 -173.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -89.47 -45.69 9.25 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 107.953 -1.128 . . . . 0.0 107.953 169.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.247 0.935 0 CA-C-N 114.59 -1.186 . . . . 0.0 108.626 174.388 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 87.6 mttt . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.045 0.45 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.579 ' HB2' ' O ' ' A' ' 8' ' ' ASN . 16.7 p -65.61 -31.84 73.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.528 -0.76 . . . . 0.0 112.034 -174.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.2 t -68.87 -25.42 30.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.135 0.493 . . . . 0.0 110.822 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -96.6 17.1 17.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.95 0.405 . . . . 0.0 110.171 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -142.91 174.1 10.97 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.672 -176.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 62.8 mttm -95.8 8.8 42.53 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.695 0.283 . . . . 0.0 111.526 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.2 mtt85 -102.4 100.27 10.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.579 ' O ' ' HB2' ' A' ' 2' ' ' SER . 54.0 t30 61.89 85.87 0.12 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 124.108 0.88 . . . . 0.0 112.542 176.081 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -110.2 131.4 55.09 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 174.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.562 HG22 ' H ' ' A' ' 12' ' ' ALA . 24.8 m -117.13 127.41 54.1 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.531 -176.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.424 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 60.5 mtm180 -84.97 14.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.332 -176.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.562 ' H ' HG22 ' A' ' 10' ' ' THR . . . -64.53 137.95 58.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.332 178.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 38.2 t80 -51.82 -43.78 63.28 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.579 -175.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.409 ' HG2' ' O ' ' A' ' 48' ' ' GLY . 21.1 pttm -66.15 -35.47 80.56 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 120.641 0.258 . . . . 0.0 111.626 -178.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.9 m -73.96 -43.08 59.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.375 0.607 . . . . 0.0 110.634 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.48 HG21 ' HE1' ' A' ' 95' ' ' MET . 70.2 t -70.99 -42.61 76.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.016 -179.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.21 72.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.721 177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -68.01 -38.25 82.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 110.232 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.4 m -72.37 -37.26 68.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.995 177.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 78.5 t90 -62.37 -44.78 95.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.131 174.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 86.8 t80 -57.78 -38.03 74.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.308 179.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.25 6.76 21.55 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.675 -178.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.2 m -123.27 -34.2 3.16 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.818 0.342 . . . . 0.0 111.263 -178.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.2 tptp -77.33 93.86 4.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.832 0.349 . . . . 0.0 111.181 -175.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -89.8 26.98 1.64 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.456 -179.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.3 m -71.59 -37.03 71.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.862 -175.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -113.67 171.4 7.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.796 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 p -70.27 150.43 46.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.626 . . . . 0.0 109.402 173.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 36.7 tt0 -63.45 -27.45 69.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.698 0.285 . . . . 0.0 110.354 -178.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.27 -58.83 6.51 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.98 171.183 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.54 ' O ' HG23 ' A' ' 35' ' ' VAL . 57.7 t80 -62.69 -37.16 85.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.296 179.551 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.488 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 42.1 mt-30 -59.01 -42.33 89.87 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.679 178.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -63.93 -39.76 94.9 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 19.0 m -61.69 -42.07 98.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.219 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.67 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 95.4 t -58.96 -53.49 47.1 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.148 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.422 175.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.483 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 62.0 t-105 -56.65 -51.78 67.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.142 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 49.7 m -61.95 -38.95 90.41 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.11 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.561 ' HE ' ' HE2' ' A' ' 82' ' ' TYR . 11.5 ttp180 -63.38 -39.39 94.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.153 177.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.67 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 80.7 mt -62.18 -48.55 79.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 0.0 109.887 175.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 45.7 mt-10 -58.18 -39.65 79.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.466 -179.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 29.6 m -75.88 -46.37 30.5 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 112.641 0.608 . . . . 0.0 112.641 -173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -109.95 -35.22 6.2 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -170.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.672 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.8 tp -94.94 -44.5 7.69 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -168.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.473 ' N ' ' CD ' ' A' ' 45' ' ' PRO . 12.8 m-30 -64.36 -33.93 10.2 Favored Pre-proline 0 CA--C 1.548 0.903 0 N-CA-C 115.064 1.505 . . . . 0.0 115.064 -177.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.473 ' CD ' ' N ' ' A' ' 44' ' ' PHE . 88.8 Cg_exo -43.27 -41.68 10.05 Favored 'Trans proline' 0 C--N 1.365 1.41 0 C-N-CA 122.947 2.431 . . . . 0.0 114.417 -174.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -101.97 -64.49 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.916 0.389 . . . . 0.0 111.63 -178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.672 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.5 pt -76.6 -19.6 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.919 -170.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -66.02 -26.21 72.29 Favored Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.908 -0.663 . . . . 0.0 111.737 178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -101.49 3.19 40.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.048 0.451 . . . . 0.0 110.659 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.51 ' HG3' HD21 ' A' ' 55' ' ' LEU . 72.6 mmtt -90.38 164.82 14.17 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.161 177.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -86.35 4.3 39.83 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.388 -179.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 95' ' ' MET . 0.2 OUTLIER 72.78 -42.7 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 C-N-CA 122.985 0.514 . . . . 0.0 111.908 178.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.36 9.99 3.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.448 0.642 . . . . 0.0 110.553 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -116.72 13.56 15.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.336 179.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.518 HD12 HD13 ' A' ' 52' ' ' ILE . 94.4 mt -109.28 135.83 49.73 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.491 0.663 . . . . 0.0 112.208 -172.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.495 ' HB3' ' OD1' ' A' ' 59' ' ' ASP . 9.8 t70 -110.45 164.73 12.41 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.886 -1.052 . . . . 0.0 108.783 174.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.48 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 27.6 m -52.5 -39.77 61.64 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.715 0.293 . . . . 0.0 111.212 178.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.482 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.56 -34.19 86.85 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.391 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.495 ' OD1' ' HB3' ' A' ' 56' ' ' ASP . 4.6 m-20 -65.1 -33.25 75.58 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-O 120.926 0.393 . . . . 0.0 110.509 179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.531 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 33.8 mt -77.28 -34.77 55.53 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-O 121.751 0.786 . . . . 0.0 109.878 178.271 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.48 ' HG ' ' O ' ' A' ' 57' ' ' THR . 74.6 mt -66.33 -23.49 66.37 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.185 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.867 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 24.3 t -59.44 -59.47 13.74 Favored Pre-proline 0 CA--C 1.537 0.475 0 C-N-CA 120.761 -0.376 . . . . 0.0 111.105 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.867 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.1 Cg_exo -56.42 -42.11 69.18 Favored 'Trans proline' 0 C--N 1.357 1.018 0 C-N-CA 122.234 1.956 . . . . 0.0 112.288 175.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.48 -49.06 85.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-O 121.344 0.592 . . . . 0.0 110.766 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -65.97 -35.14 79.78 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.417 -0.81 . . . . 0.0 111.021 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 61.4 tttm -56.17 -35.2 66.95 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.471 174.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 70' ' ' LEU . 62.8 mt -83.64 -31.68 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.587 177.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -60.7 -42.45 97.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.206 0.527 . . . . 0.0 109.831 174.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -68.19 -19.09 64.74 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.432 177.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' HB3' ' O ' ' A' ' 67' ' ' ILE . 33.1 tp -76.0 -16.95 59.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.017 178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.28 -22.44 32.87 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.687 176.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -89.25 102.66 15.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.954 0.407 . . . . 0.0 110.962 -176.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 75.9 mt -78.45 -42.58 29.5 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.242 -177.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.84 -38.44 90.82 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.795 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.493 HG23 ' HD2' ' A' ' 38' ' ' ARG . 25.3 mt -66.78 -42.22 88.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 C-N-CA 120.925 -0.31 . . . . 0.0 110.487 178.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -59.64 -45.16 92.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.948 0.404 . . . . 0.0 110.565 177.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.7 mtm -66.17 -38.63 88.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.833 177.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -63.0 -47.05 84.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.628 -0.26 . . . . 0.0 111.207 178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 75' ' ' ILE . 96.8 t -61.31 -41.5 89.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.855 0.359 . . . . 0.0 110.212 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -59.74 -44.35 93.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.189 175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -63.86 -44.86 91.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.106 -178.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.561 ' HE2' ' HE ' ' A' ' 38' ' ' ARG . 19.8 m-85 -56.49 -50.69 71.05 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 175.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.559 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.65 -38.64 88.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.213 -0.903 . . . . 0.0 111.546 -178.491 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 90.9 m -58.37 -39.51 79.77 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 120.852 0.358 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.67 -39.35 80.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.434 177.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 82' ' ' TYR . 61.4 mt -65.75 -40.94 89.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.387 177.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.559 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 62.8 mtt -62.46 -38.05 88.31 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -66.78 -34.26 77.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.158 0.504 . . . . 0.0 109.756 178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -68.19 -37.57 81.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.526 175.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.75 -36.5 83.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.971 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 97' ' ' ARG . 53.5 t -58.11 -45.59 88.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.261 175.288 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -73.86 -3.68 30.25 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.384 -177.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -111.42 7.64 20.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.726 174.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.1 tttm 67.2 15.47 10.02 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.555 176.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.524 ' HE3' HG21 ' A' ' 52' ' ' ILE . 18.3 mtm -73.23 -52.79 12.76 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.005 -0.435 . . . . 0.0 111.213 -174.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.431 HD12 ' HD3' ' A' ' 100' ' ' PRO . 25.2 pt -108.79 -2.48 10.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 0.0 111.766 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.513 ' O ' HG13 ' A' ' 91' ' ' VAL . 61.5 mtt180 70.48 -64.64 0.36 Allowed 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.158 0.583 . . . . 0.0 111.531 -178.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -124.82 163.26 22.54 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -88.22 111.58 44.09 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 -178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.431 ' HD3' HD12 ' A' ' 96' ' ' ILE . 73.1 Cg_endo -78.97 -21.34 9.57 Favored 'Trans proline' 0 CA--C 1.529 0.256 0 C-N-CA 122.954 2.436 . . . . 0.0 113.757 -174.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.23 -39.66 13.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.166 0.508 . . . . 0.0 110.59 -179.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 64.0 t80 -72.19 -13.82 61.64 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.784 177.225 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -66.87 -30.77 71.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.21 -0.904 . . . . 0.0 111.042 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.454 HD21 HG21 ' A' ' 57' ' ' THR . 4.4 mm? -57.1 -48.3 78.95 Favored 'General case' 0 CA--C 1.518 -0.278 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.379 -178.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.711 ' HA ' ' HG3' ' A' ' 110' ' ' LYS . 40.7 mt-10 -81.11 8.65 8.2 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.817 -177.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.0 -16.09 29.11 Favored Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.491 -0.643 . . . . 0.0 111.491 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -79.66 159.02 26.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.668 0.27 . . . . 0.0 110.81 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.48 -15.51 19.09 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.92 0.391 . . . . 0.0 111.119 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.21 -17.54 63.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.294 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.711 ' HG3' ' HA ' ' A' ' 105' ' ' GLU . 68.4 mmtt -96.62 5.26 51.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.158 0.504 . . . . 0.0 110.878 -178.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 63.8 tp -91.23 -26.36 19.05 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 168.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -78.24 142.95 37.52 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.725 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -97.08 76.43 2.67 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.344 0.593 . . . . 0.0 110.031 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -107.75 -17.82 13.98 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.625 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -136.94 147.49 46.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.209 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 64.7 m-70 -78.54 -34.81 46.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.339 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -60.53 -67.88 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.242 0.69 0 CA-C-N 114.792 -1.095 . . . . 0.0 108.633 176.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 120.803 0.335 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HB2' ' O ' ' A' ' 5' ' ' GLU . 14.7 m -112.08 151.97 28.77 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 175.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 53.9 t -79.34 -45.18 23.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 121.114 0.483 . . . . 0.0 110.101 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -64.88 -80.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.303 179.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.487 ' O ' ' HB2' ' A' ' 2' ' ' SER . 39.7 mt-10 -81.14 107.53 14.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.287 0.565 . . . . 0.0 109.798 174.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.1 mttp -81.95 10.74 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.699 -172.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 7' ' ' ARG . 31.6 ttp85 -142.1 108.6 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 170.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -71.76 107.02 4.36 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.835 -174.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -104.59 101.3 10.95 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 m -77.93 140.27 39.25 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.578 ' HB3' ' SD ' ' A' ' 95' ' ' MET . 93.0 mtt-85 69.26 24.09 6.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.77 0.669 . . . . 0.0 110.495 -176.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.87 137.78 58.18 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.652 178.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.486 ' HB2' HG12 ' A' ' 52' ' ' ILE . 37.8 t80 -50.82 -49.58 58.36 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.962 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -64.85 -34.24 77.91 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.738 0.304 . . . . 0.0 111.49 -174.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.3 m -72.32 -44.57 62.48 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.367 0.603 . . . . 0.0 110.273 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.513 HG21 ' SD ' ' A' ' 95' ' ' MET . 78.6 t -70.98 -33.53 52.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.99 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.97 -27.38 65.66 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.531 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -70.09 -41.08 74.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.53 -0.305 . . . . 0.0 110.363 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.7 p -71.61 -35.61 70.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.1 0.476 . . . . 0.0 110.127 176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.501 ' CZ2' ' HE2' ' A' ' 24' ' ' LYS . 68.0 t90 -59.3 -43.43 92.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.727 -0.669 . . . . 0.0 109.933 172.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 36' ' ' TRP . 86.4 t80 -63.5 -44.17 95.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.931 177.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.66 -24.05 65.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.293 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 15.3 m -94.84 7.22 46.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.8 0.81 . . . . 0.0 110.345 179.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' HE2' ' CZ2' ' A' ' 20' ' ' TRP . 17.3 mmtm -92.12 100.2 12.86 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.071 0.462 . . . . 0.0 111.407 178.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.9 p -111.61 13.87 21.27 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.505 0.669 . . . . 0.0 110.228 175.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.0 m -73.14 -46.74 49.26 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.342 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.5 m-90 -95.82 170.2 9.47 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.049 177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.3 p -87.89 160.01 18.13 Favored 'General case' 0 C--N 1.318 -0.784 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 173.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.554 ' HA ' ' HB2' ' A' ' 32' ' ' GLN . 30.2 mt-10 -62.1 -25.47 67.73 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -173.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -66.13 -42.7 88.78 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.259 0.552 . . . . 0.0 109.688 177.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.592 ' O ' HG23 ' A' ' 35' ' ' VAL . 24.9 t80 -76.14 -34.54 59.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.606 177.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.554 ' HB2' ' HA ' ' A' ' 29' ' ' GLU . 45.3 mt-30 -60.49 -39.38 87.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.303 174.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.8 ttt85 -58.19 -47.6 82.93 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.1 p -66.64 -39.53 88.3 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.389 -0.524 . . . . 0.0 110.981 176.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 31' ' ' TYR . 69.4 t -55.31 -53.95 29.96 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 120.769 0.319 . . . . 0.0 110.542 175.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.422 ' HB2' ' CE1' ' A' ' 21' ' ' PHE . 73.0 t-105 -59.71 -44.0 93.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.831 -178.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 26.6 m -63.12 -43.0 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -63.13 -39.25 94.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.904 0.383 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 92.0 mt -62.31 -54.84 34.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.232 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 9.7 pt-20 -67.06 -25.99 66.52 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.714 0.292 . . . . 0.0 111.778 -176.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 67.5 m -82.92 -41.82 18.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.485 ' HB3' HD11 ' A' ' 67' ' ' ILE . 56.1 m-85 -107.6 -51.2 2.94 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 -170.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.688 ' HG ' HD11 ' A' ' 47' ' ' ILE . 12.8 tp -94.38 -46.97 6.8 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -166.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.579 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 11.8 m-30 -56.91 -41.46 91.47 Favored Pre-proline 0 CA--C 1.542 0.673 0 N-CA-C 114.68 1.363 . . . . 0.0 114.68 -176.275 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 24.7 Cg_endo -60.48 -18.31 53.17 Favored 'Trans proline' 0 C--N 1.355 0.91 0 C-N-CA 122.003 1.802 . . . . 0.0 113.496 -172.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -97.81 -61.02 1.45 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.317 0.579 . . . . 0.0 111.057 -177.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.688 HD11 ' HG ' ' A' ' 43' ' ' LEU . 7.0 pt -88.48 -15.67 9.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.59 -172.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -62.91 -25.51 67.89 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 121.034 -0.603 . . . . 0.0 113.093 -175.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -109.13 17.28 21.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.014 0.435 . . . . 0.0 110.502 -177.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HD2' ' HA ' ' A' ' 47' ' ' ILE . 96.9 mttt -101.74 167.97 9.75 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.625 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -72.67 -12.18 60.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.914 -174.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.524 HD13 HD12 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 71.11 -43.65 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 123.531 0.732 . . . . 0.0 111.857 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.51 -32.08 73.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.946 0.403 . . . . 0.0 111.033 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -104.24 37.9 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -178.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.702 HD13 HD21 ' A' ' 60' ' ' LEU . 18.6 mt -91.6 104.24 16.75 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.319 0.581 . . . . 0.0 110.473 175.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -71.39 153.01 42.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.245 178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.613 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 51.8 m -50.52 -45.05 56.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.038 0.447 . . . . 0.0 110.636 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.546 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -75.27 -26.81 65.18 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 121.016 -0.611 . . . . 0.0 112.443 -178.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -72.11 -26.52 62.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.971 0.415 . . . . 0.0 110.224 -177.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD21 HD13 ' A' ' 55' ' ' LEU . 16.7 mt -84.29 -29.77 26.13 Favored 'General case' 0 C--O 1.243 0.734 0 CA-C-O 121.679 0.752 . . . . 0.0 110.224 173.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.613 ' HG ' ' O ' ' A' ' 57' ' ' THR . 47.6 mt -66.56 -25.97 66.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.012 178.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.575 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 56.3 t -64.73 -51.58 57.13 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-O 119.257 -0.402 . . . . 0.0 111.696 179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.575 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 73.6 Cg_exo -50.83 -48.36 21.14 Favored 'Trans proline' 0 C--N 1.354 0.84 0 C-N-CA 121.949 1.766 . . . . 0.0 112.082 170.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.431 HD12 HD23 ' A' ' 61' ' ' LEU . 80.4 mt -58.98 -42.09 85.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 121.488 0.661 . . . . 0.0 110.43 176.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 58.9 tttp -72.69 -22.44 60.9 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.17 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -65.62 -39.38 91.44 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 174.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.512 HG21 HG22 ' A' ' 75' ' ' ILE . 30.4 mt -72.02 -35.76 54.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.889 174.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.449 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 18.4 tt0 -56.17 -49.96 72.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.829 172.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -68.08 -18.81 64.77 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.931 -1.031 . . . . 0.0 110.556 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 21.0 tp -75.4 -28.81 59.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.814 177.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.54 -13.35 18.22 Favored Glycine 0 N--CA 1.451 -0.361 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.564 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.503 ' HB3' HD13 ' A' ' 75' ' ' ILE . 96.5 m-85 -98.62 96.73 8.15 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.83 0.348 . . . . 0.0 111.265 -176.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.7 mt -74.74 -38.29 62.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.789 -179.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 19.8 mt-10 -60.07 -49.25 78.41 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 116.466 -0.333 . . . . 0.0 111.573 177.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.512 HG22 HG21 ' A' ' 67' ' ' ILE . 2.0 mp -59.54 -42.14 87.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.41 -51.6 67.76 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.816 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.0 mtm -62.15 -41.98 98.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.55 178.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 50.5 mtt180 -69.52 -38.32 77.51 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.54 0.209 . . . . 0.0 111.433 -176.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.404 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 78.1 t -67.3 -35.28 73.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.378 0.609 . . . . 0.0 109.431 174.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -63.62 -34.12 77.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.564 175.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' HG2' ' O ' ' A' ' 77' ' ' MET . 30.0 mm-40 -59.64 -49.84 76.2 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 176.01 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.529 ' O ' HG13 ' A' ' 86' ' ' ILE . 8.6 m-85 -58.18 -51.12 71.07 Favored 'General case' 0 CA--C 1.521 -0.149 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.861 177.271 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.55 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -54.95 -45.23 74.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.532 -178.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 41.2 m -58.15 -42.19 85.39 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.964 0.411 . . . . 0.0 110.791 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -68.71 -36.76 78.87 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.814 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.529 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.8 mt -67.15 -40.23 84.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 121.095 0.474 . . . . 0.0 110.411 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.55 ' HG3' ' O ' ' A' ' 83' ' ' ALA . 66.9 mtt -59.65 -39.37 84.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.032 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.4 ttt85 -69.64 -35.07 74.88 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.354 178.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 64.9 t80 -66.46 -34.67 78.46 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.0 -43.57 92.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.503 -0.772 . . . . 0.0 110.622 175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 87' ' ' MET . 87.3 t -63.67 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.023 0.44 . . . . 0.0 110.245 176.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -63.75 -34.87 78.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.585 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -88.81 3.95 49.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.83 0.347 . . . . 0.0 110.648 175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 43.6 tttm 64.98 28.9 12.47 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.474 -0.785 . . . . 0.0 111.437 175.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.578 ' SD ' ' HB3' ' A' ' 11' ' ' ARG . 14.8 mtm -79.22 -36.75 39.56 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.052 0.454 . . . . 0.0 109.908 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.468 HG13 HG22 ' A' ' 91' ' ' VAL . 38.9 pt -128.05 168.69 20.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.716 176.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -80.04 -58.94 2.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.884 0.373 . . . . 0.0 110.887 -177.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -142.15 166.82 23.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.012 -178.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -76.44 114.46 38.45 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.729 -178.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.538 ' HD2' ' SD ' ' A' ' 87' ' ' MET . 36.2 Cg_exo -61.52 -23.9 77.31 Favored 'Trans proline' 0 CA--C 1.528 0.204 0 C-N-CA 122.65 2.234 . . . . 0.0 111.74 176.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.74 -14.75 62.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.587 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -98.87 0.62 44.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.771 0.32 . . . . 0.0 110.533 176.038 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -84.7 -35.94 22.19 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.018 -177.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 104' ' ' LEU . 1.1 pt? -92.68 102.23 14.65 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.662 0.744 . . . . 0.0 111.44 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -113.51 -13.33 12.8 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.881 171.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -111.78 11.17 27.62 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.384 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -93.76 0.16 56.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.98 0.419 . . . . 0.0 110.958 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.7 p -161.14 131.92 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.181 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -71.02 -42.44 69.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.022 0.439 . . . . 0.0 111.301 -178.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 43.7 tttm -75.27 153.45 37.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.898 -173.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 118' ' ' HIS . 21.8 mt -92.18 159.39 15.67 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 176.778 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.769 ' HB2' ' HD2' ' A' ' 115' ' ' HIS . 43.8 mt-10 -77.87 139.24 39.25 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 19.7 t-160 -74.65 71.35 1.9 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.344 0.593 . . . . 0.0 110.65 -175.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 71.5 t60 -175.51 -28.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.265 -0.879 . . . . 0.0 109.735 -177.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.769 ' HD2' ' HB2' ' A' ' 112' ' ' GLU . 38.0 m-70 -96.58 176.63 5.95 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.594 -177.137 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 44.5 m170 -121.81 -20.31 6.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.693 171.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.0 t60 -87.47 -63.02 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.961 175.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.766 ' HA ' HD22 ' A' ' 111' ' ' LEU . 3.2 t-160 . . . . . 0 C--O 1.243 0.755 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.303 177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.499 ' HG3' ' OE2' ' A' ' 5' ' ' GLU . 52.6 mttp . . . . . 0 N--CA 1.483 1.193 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 p -65.53 -55.01 20.11 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.022 -0.733 . . . . 0.0 109.022 172.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.454 HG23 ' HG3' ' A' ' 5' ' ' GLU . 22.1 m -73.47 153.33 7.21 Favored 'Isoleucine or valine' 0 C--O 1.238 0.463 0 CA-C-N 115.362 -0.836 . . . . 0.0 109.028 169.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -71.43 -28.17 63.8 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.499 ' OE2' ' HG3' ' A' ' 1' ' ' LYS . 43.1 mt-10 57.02 -153.45 0.37 Allowed 'General case' 0 C--O 1.235 0.302 0 O-C-N 123.377 0.423 . . . . 0.0 110.76 -179.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 58.66 31.45 21.13 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 121.225 0.536 . . . . 0.0 111.316 177.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 7' ' ' ARG . 60.2 mtt180 -136.72 150.45 48.44 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.637 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -74.4 -35.53 63.45 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.094 -176.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 64.65 18.21 11.29 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.12 177.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 27.6 p -84.16 15.22 3.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.606 0.717 . . . . 0.0 111.702 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 11' ' ' ARG . 18.6 ttm180 -150.42 21.01 0.84 Allowed 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 114.891 -1.05 . . . . 0.0 109.038 176.583 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' O ' HG23 ' A' ' 16' ' ' VAL . . . -93.54 154.8 17.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.351 -0.84 . . . . 0.0 110.66 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -49.84 -48.22 51.17 Favored 'General case' 0 N--CA 1.463 0.193 0 O-C-N 123.487 0.492 . . . . 0.0 112.094 -175.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -62.35 -40.15 95.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.719 0.295 . . . . 0.0 111.229 -175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.1 m -76.18 -33.49 59.31 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.471 0.653 . . . . 0.0 110.646 -176.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.696 HG21 ' HE1' ' A' ' 95' ' ' MET . 74.6 t -70.64 -49.79 49.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.436 177.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.52 -39.05 70.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.649 174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.434 ' HA ' ' CH2' ' A' ' 36' ' ' TRP . 64.4 tttp -58.28 -46.52 85.89 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.615 176.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -70.3 -36.26 74.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.394 178.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.403 ' CD2' HG12 ' A' ' 86' ' ' ILE . 88.3 t90 -59.04 -48.67 80.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.464 177.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -59.66 -38.56 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.803 178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.93 -2.8 41.74 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.741 -178.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.5 m -121.96 5.42 9.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.578 0.704 . . . . 0.0 110.408 179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 24' ' ' LYS . 9.7 tptp -100.03 127.17 46.28 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.22 -179.503 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.6 p -130.22 15.31 5.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.483 -176.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.0 m -85.8 -18.97 31.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.257 -0.429 . . . . 0.0 112.082 -173.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.402 ' HE3' ' HG3' ' A' ' 32' ' ' GLN . 6.7 m0 -114.64 162.11 17.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.972 0.415 . . . . 0.0 111.63 -177.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.8 m -64.49 147.62 52.36 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -56.72 -39.53 74.07 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 111.629 0.233 . . . . 0.0 111.629 -175.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -68.45 -49.16 61.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.684 0.278 . . . . 0.0 110.964 -179.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' O ' HG23 ' A' ' 35' ' ' VAL . 87.1 t80 -64.25 -41.35 96.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.718 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.402 ' HG3' ' HE3' ' A' ' 27' ' ' TRP . 4.4 tt0 -69.92 -34.06 72.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.937 0.399 . . . . 0.0 110.286 -178.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 HH11 ' HD2' ' A' ' 33' ' ' ARG . 25.1 ttt180 -62.66 -38.21 89.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.242 0.544 . . . . 0.0 109.627 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.9 t -66.07 -42.06 89.94 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.846 174.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 31' ' ' TYR . 73.4 t -53.79 -50.13 53.74 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 175.434 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.443 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 67.1 t-105 -59.24 -48.66 80.78 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.793 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 19.5 m -61.39 -38.98 89.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.292 0.567 . . . . 0.0 110.661 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.458 ' HD2' ' HE2' ' A' ' 82' ' ' TYR . 35.6 ttm180 -61.9 -40.99 97.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.513 178.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 97.1 mt -62.73 -44.51 96.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.436 177.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.502 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 45.4 mt-10 -64.18 -25.94 68.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.498 -179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 39.8 m -87.13 -33.61 19.38 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 112.195 0.443 . . . . 0.0 112.195 -173.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -109.65 -51.88 2.83 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -174.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 ' HG ' HD11 ' A' ' 47' ' ' ILE . 7.4 mp -85.96 -44.4 12.39 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -171.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -53.56 -43.23 95.4 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -58.35 -14.04 18.74 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 121.852 1.702 . . . . 0.0 113.672 176.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -113.77 -73.39 0.66 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.888 -0.325 . . . . 0.0 111.508 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.603 HD13 ' H ' ' A' ' 47' ' ' ILE . 0.1 OUTLIER -89.42 1.87 7.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 -179.303 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' HA ' ' A' ' 44' ' ' PHE . . . -80.5 55.9 4.68 Favored Glycine 0 CA--C 1.519 0.325 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.97 -176.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.3 t30 173.3 -32.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 179.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.7 tptp -69.39 145.17 53.1 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.348 -179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.445 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 24.2 t0 -65.0 130.15 42.3 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 174.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.584 ' HA ' HD12 ' A' ' 55' ' ' LEU . 11.0 tt -73.89 -24.81 19.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.954 0.407 . . . . 0.0 111.405 -175.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.66 -4.38 54.04 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.378 0.609 . . . . 0.0 109.694 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -107.74 4.86 26.11 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.143 -0.935 . . . . 0.0 109.032 177.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 52' ' ' ILE . 96.2 mt -96.97 148.96 22.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.335 178.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -118.47 167.64 11.4 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 175.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.514 HG21 ' HB2' ' A' ' 104' ' ' LEU . 18.6 m -50.12 -40.0 44.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.556 175.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.638 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -59.4 -46.26 94.18 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.047 177.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -60.05 -31.46 70.0 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 122.252 0.221 . . . . 0.0 111.592 -178.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.526 ' O ' ' HD2' ' A' ' 63' ' ' PRO . 82.3 mt -84.14 -37.43 21.96 Favored 'General case' 0 C--O 1.241 0.654 0 CA-C-O 121.133 0.492 . . . . 0.0 111.558 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.93 -30.86 71.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.577 -176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.755 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 39.9 t -60.96 -56.09 38.33 Favored Pre-proline 0 CA--C 1.54 0.59 0 CA-C-O 119.506 -0.283 . . . . 0.0 111.701 -178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.755 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 46.4 Cg_exo -57.27 -42.2 65.21 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 122.224 1.949 . . . . 0.0 112.24 176.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 98.1 mt -62.37 -43.46 98.18 Favored 'Isoleucine or valine' 0 C--O 1.232 0.174 0 CA-C-O 121.244 0.545 . . . . 0.0 110.64 177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 ttpt -65.65 -37.31 86.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.782 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -53.31 -45.63 69.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.697 173.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 40.2 mt -68.05 -38.45 79.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.159 0.504 . . . . 0.0 110.237 179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -59.69 -45.19 92.83 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.067 175.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -67.18 -22.52 65.74 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.875 178.56 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.9 tp -69.37 -18.93 63.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.131 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.13 -16.06 39.14 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.756 -0.656 . . . . 0.0 112.211 177.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.531 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 69.6 m-85 -89.53 96.81 10.86 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 74.4 mt -77.94 -50.37 12.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.854 -174.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -64.02 -37.92 89.17 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.186 179.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.531 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 39.5 mm -58.48 -51.94 65.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.314 175.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -56.15 -47.96 77.19 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.831 0.348 . . . . 0.0 111.122 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 69.9 mtm -63.52 -39.66 95.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.606 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 72.7 mtt180 -79.25 -28.75 42.42 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.582 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 73.8 t -67.86 -38.39 80.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 171.157 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -60.13 -39.25 85.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.795 -0.638 . . . . 0.0 109.727 173.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -61.8 -43.14 99.44 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.69 177.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.663 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 21.7 m-85 -57.47 -51.59 68.84 Favored 'General case' 0 CA--C 1.523 -0.095 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 174.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.476 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -59.83 -37.58 79.62 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.323 -179.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 43.9 m -64.5 -38.62 91.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.776 0.322 . . . . 0.0 110.739 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.92 -42.91 89.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.962 0.41 . . . . 0.0 110.441 178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 20' ' ' TRP . 53.8 mt -66.27 -39.62 84.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.167 176.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.583 ' HB3' ' OD1' ' A' ' 99' ' ' ASN . 6.9 tpp -65.96 -41.73 90.82 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.492 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 30.5 ttp85 -64.09 -35.51 80.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.088 0.471 . . . . 0.0 110.336 175.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -66.27 -34.12 77.28 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.644 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.36 -41.49 85.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.25 178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 87' ' ' MET . 65.4 t -59.13 -43.74 90.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.386 177.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -68.56 -21.99 64.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.575 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -91.53 6.34 46.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.495 179.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 58.7 tttp 67.74 14.73 9.55 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 123.589 0.556 . . . . 0.0 111.121 176.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.696 ' HE1' HG21 ' A' ' 16' ' ' VAL . 24.2 mtm -78.31 -44.28 25.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.006 0.431 . . . . 0.0 110.191 -178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 38.8 pt -120.84 162.15 19.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.184 178.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 97' ' ' ARG . 12.8 mtp180 -75.88 -65.68 0.88 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.188 -176.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 82.2 m-85 -128.32 -178.02 4.39 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.164 178.604 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.583 ' OD1' ' HB3' ' A' ' 87' ' ' MET . 7.7 t30 -92.81 105.21 13.87 Favored Pre-proline 0 C--N 1.326 -0.413 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.892 -177.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.506 ' HD2' ' HG2' ' A' ' 87' ' ' MET . 5.4 Cg_exo -80.29 -2.29 11.9 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 123.184 2.589 . . . . 0.0 112.341 -178.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.99 10.85 8.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.741 -176.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -98.55 19.39 14.68 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.7 0.286 . . . . 0.0 110.897 177.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 60.28 83.62 0.14 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.748 175.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.514 ' HB2' HG21 ' A' ' 57' ' ' THR . 4.3 mm? -69.0 -42.07 76.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.688 178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -72.61 -0.18 12.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.875 178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -100.6 -3.89 54.99 Favored Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.38 -0.688 . . . . 0.0 111.38 175.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -90.12 111.39 22.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.974 0.416 . . . . 0.0 110.039 178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.6 p -119.91 134.21 64.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 110.794 -176.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -108.42 166.98 10.36 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.979 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 69.7 mttt -103.96 144.11 31.97 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 75.2 mt -75.37 -33.93 61.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.34 -171.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 70.85 -51.56 0.68 Allowed 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.989 0.806 . . . . 0.0 111.054 -178.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -74.75 147.15 41.58 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 68.1 26.41 7.19 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.544 0.527 . . . . 0.0 110.066 -178.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -137.14 113.2 9.77 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.351 -177.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 34.5 m170 -105.19 170.43 7.88 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.33 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -91.1 -32.31 15.9 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 170.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 81.1 t60 . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.32 -0.855 . . . . 0.0 109.29 175.264 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 N--CA 1.483 1.192 0 CA-C-O 120.978 0.418 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -91.85 119.08 31.31 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.23 -174.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.7 m -109.47 152.31 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.112 175.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -114.08 135.84 53.58 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.492 -176.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG3' ' H ' ' A' ' 7' ' ' ARG . 9.0 tp10 -76.91 142.42 40.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.689 175.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.9 mttp -107.15 -6.41 17.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.712 -174.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.411 ' H ' ' HG3' ' A' ' 5' ' ' GLU . 43.8 ttt180 -113.53 94.27 4.78 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.986 -0.746 . . . . 0.0 108.986 176.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -83.65 122.58 28.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.066 -0.516 . . . . 0.0 112.211 -170.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -122.79 101.46 7.46 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.339 171.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -73.88 143.11 45.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.834 -177.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.4 mtt85 -84.03 62.9 7.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.429 0.633 . . . . 0.0 111.049 178.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -118.51 155.48 30.77 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 114.979 -1.01 . . . . 0.0 108.587 173.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.453 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 46.5 t80 -55.97 -29.98 61.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.965 0.412 . . . . 0.0 110.586 -176.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mtpt -70.16 -57.69 4.64 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.353 -177.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 18' ' ' LYS . 59.1 m -62.0 -31.69 72.09 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.186 0.517 . . . . 0.0 111.09 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.711 HG21 ' SD ' ' A' ' 95' ' ' MET . 97.1 t -73.61 -44.8 52.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.208 179.065 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.22 -38.5 86.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.166 0.508 . . . . 0.0 109.946 173.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.417 ' HB3' ' O ' ' A' ' 15' ' ' THR . 44.3 tttm -55.28 -47.27 75.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.177 -0.92 . . . . 0.0 110.335 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 m -68.63 -42.36 78.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.553 178.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 84.0 t90 -57.85 -45.44 86.26 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.823 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 32' ' ' GLN . 84.7 t80 -60.05 -42.09 93.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.41 177.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.88 6.24 9.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.521 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.0 m -124.99 7.79 8.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.531 0.681 . . . . 0.0 109.929 177.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 24' ' ' LYS . 11.8 mmtm -101.48 107.51 18.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.261 0.553 . . . . 0.0 112.112 -178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.5 p -114.51 13.56 17.6 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.926 174.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -78.37 -23.4 46.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.642 -174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 8.3 m0 -123.94 170.61 10.44 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.856 0.36 . . . . 0.0 111.358 -176.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.6 m -73.78 163.27 28.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.326 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -56.66 -58.27 8.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 111.651 -174.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.04 -35.65 76.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.002 0.43 . . . . 0.0 110.484 -176.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' O ' HG23 ' A' ' 35' ' ' VAL . 27.4 t80 -61.64 -47.0 87.38 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.999 177.491 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.517 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 25.1 tp60 -65.67 -38.73 90.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.543 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.3 ttp180 -62.8 -43.12 99.65 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.272 177.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 34.5 m -58.22 -38.42 76.78 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.766 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.559 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.6 t -64.49 -52.49 54.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.34 176.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -55.64 -44.61 77.31 Favored 'General case' 0 N--CA 1.465 0.284 0 O-C-N 123.551 0.532 . . . . 0.0 111.313 -178.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 23.4 m -58.15 -46.65 85.29 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.872 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 80.7 mtt85 -70.9 -28.11 64.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.318 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.559 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 83.3 mt -61.79 -52.29 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 42.5 mt-10 -63.06 -28.45 70.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.564 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 m -78.83 -48.48 14.66 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.777 -176.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.452 ' HB3' HD11 ' A' ' 67' ' ' ILE . 61.7 m-85 -105.98 -44.75 4.53 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -173.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.511 ' HG ' HD11 ' A' ' 47' ' ' ILE . 18.4 tp -97.05 24.35 6.38 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.085 0.469 . . . . 0.0 111.484 -168.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.807 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 1.9 m-85 -123.82 -51.91 0.04 OUTLIER Pre-proline 0 C--N 1.321 -0.67 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 -178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.807 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 27.6 Cg_endo -61.49 -20.26 67.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.08 1.853 . . . . 0.0 113.971 -170.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -104.68 -18.41 14.3 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.511 HD11 ' HG ' ' A' ' 43' ' ' LEU . 5.7 pt -128.87 -22.14 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 -176.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.453 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -67.66 -24.68 74.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.383 -178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -96.59 16.16 19.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.166 0.508 . . . . 0.0 110.452 179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -100.65 -176.63 3.25 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.022 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -85.52 -7.92 58.62 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.78 -179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.504 HD13 HD12 ' A' ' 55' ' ' LEU . 0.5 OUTLIER 63.83 -43.95 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 C-N-CA 124.299 1.04 . . . . 0.0 112.01 -172.309 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.99 -21.8 62.26 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.975 0.416 . . . . 0.0 110.987 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -106.71 23.42 14.32 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.695 HD13 HD21 ' A' ' 60' ' ' LEU . 30.8 mt -81.87 103.88 11.84 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.437 0.637 . . . . 0.0 110.522 176.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -76.98 158.63 30.5 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.243 -0.89 . . . . 0.0 110.201 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.552 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.2 m -49.05 -45.36 42.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.039 176.523 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.412 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -73.22 -27.81 67.45 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.493 -178.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.412 ' HA ' HG23 ' A' ' 62' ' ' VAL . 35.3 t0 -77.23 -26.91 53.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.3 0.572 . . . . 0.0 109.837 -178.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD21 HD13 ' A' ' 55' ' ' LEU . 98.6 mt -80.58 -28.81 37.03 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.573 0.702 . . . . 0.0 109.732 171.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 57' ' ' THR . 51.7 mt -67.95 -22.71 65.02 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.339 174.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 86.4 t -55.63 -61.44 6.21 Favored Pre-proline 0 CA--C 1.539 0.544 0 CA-C-O 119.2 -0.428 . . . . 0.0 111.257 177.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.476 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 23.7 Cg_endo -63.85 -36.6 49.61 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 121.976 1.784 . . . . 0.0 112.798 177.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.546 HG21 ' HE2' ' A' ' 80' ' ' LYS . 71.1 mt -62.93 -54.51 32.71 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-O 120.975 0.417 . . . . 0.0 110.952 177.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 65' ' ' LYS . 26.2 ttpt -59.47 -34.73 72.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.274 176.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 81.7 tttt -54.99 -40.0 69.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.305 -0.862 . . . . 0.0 110.435 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.452 HD11 ' HB3' ' A' ' 42' ' ' TYR . 52.0 mt -82.98 -39.23 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -62.2 -39.0 91.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.834 0.349 . . . . 0.0 110.59 179.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 57.8 tttm -75.53 -24.41 56.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.427 176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 15.6 tp -69.09 -18.94 64.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.396 -177.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 103.7 -5.29 47.28 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.671 176.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.514 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 98.4 m-85 -93.5 85.21 4.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.824 0.345 . . . . 0.0 110.14 179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -65.59 -45.1 84.52 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.566 -177.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 40.2 mt-10 -64.76 -43.79 92.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.744 0.307 . . . . 0.0 110.483 -179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.514 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 42.7 mt -66.43 -38.94 82.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.853 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -60.64 -49.11 78.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.765 0.317 . . . . 0.0 110.607 176.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 72.6 mtm -60.48 -40.53 91.63 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.603 176.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 88.3 mtt-85 -63.35 -56.46 16.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.118 178.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.92 -32.73 57.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.957 -177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.546 ' HE2' HG21 ' A' ' 64' ' ' ILE . 38.9 ttmt -62.9 -41.9 99.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 174.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -68.59 -44.33 74.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.475 177.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -58.26 -46.59 85.7 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.087 176.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.515 ' O ' ' HB2' ' A' ' 87' ' ' MET . . . -60.27 -42.89 96.34 Favored 'General case' 0 C--O 1.221 -0.416 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.798 178.152 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 87.8 m -62.22 -35.8 80.01 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.742 0.306 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -69.23 -46.05 68.3 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.69 177.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 68.9 mt -66.02 -35.7 75.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.267 177.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.515 ' HB2' ' O ' ' A' ' 83' ' ' ALA . 6.7 tpp -64.76 -39.77 94.17 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.232 179.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 92' ' ' GLN . 58.4 ttt180 -66.72 -35.37 79.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 109.652 176.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -66.21 -34.98 79.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.605 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.9 -37.36 86.64 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.309 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.478 HG22 HG13 ' A' ' 96' ' ' ILE . 21.4 t -70.64 -32.38 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 88' ' ' ARG . 26.2 mt-30 -72.05 -23.74 61.42 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.095 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -99.56 6.82 45.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.263 0.554 . . . . 0.0 109.921 173.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.1 mttm 52.4 51.15 16.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.695 -1.139 . . . . 0.0 112.226 176.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.711 ' SD ' HG21 ' A' ' 16' ' ' VAL . 52.0 mtm -93.25 -40.42 10.45 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.364 0.602 . . . . 0.0 109.501 172.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.478 HG13 HG22 ' A' ' 91' ' ' VAL . 31.0 pt -119.64 177.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.559 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -99.12 -46.27 5.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.655 0.264 . . . . 0.0 111.086 -177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' O ' ' HD3' ' A' ' 100' ' ' PRO . 96.2 m-85 -141.85 176.93 8.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.99 178.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -95.51 103.44 12.61 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.622 -178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 98' ' ' PHE . 37.6 Cg_exo -58.66 -39.51 81.81 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.727 2.285 . . . . 0.0 112.615 -177.153 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.85 -29.5 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.09 0.471 . . . . 0.0 110.651 178.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 35.6 t80 -75.84 -37.14 59.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.024 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -77.97 -18.61 55.79 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.7 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 104' ' ' LEU . 1.1 tm? -72.41 -45.5 59.39 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 174.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -69.4 -30.31 68.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.187 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.09 -2.79 79.67 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.752 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.41 -25.08 63.96 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-O 121.462 0.649 . . . . 0.0 109.472 173.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 43.0 t -111.19 121.16 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-N 115.174 -0.921 . . . . 0.0 108.976 174.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -70.14 -32.75 70.89 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.596 -0.274 . . . . 0.0 110.788 -175.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 95.9 mttt 61.86 -163.65 0.26 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.083 176.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 47.3 tp -153.95 -32.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.885 0.374 . . . . 0.0 110.816 -178.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -81.53 171.83 14.21 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.08 -178.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -139.02 179.6 6.41 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.985 176.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -68.32 -40.54 81.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -165.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -115.08 19.77 15.48 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 119.535 -0.866 . . . . 0.0 112.688 -170.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 22.0 t-160 -115.42 75.48 0.94 Allowed 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 119.971 -0.692 . . . . 0.0 110.51 173.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 23.8 m170 -139.65 -32.82 0.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.064 171.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 86.4 t60 . . . . . 0 C--O 1.245 0.828 0 CA-C-N 115.035 -0.984 . . . . 0.0 109.088 176.317 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.098 -0.334 . . . . 0.0 110.098 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.2 t -126.45 162.83 24.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 44.4 t -70.36 -34.96 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.11 0.481 . . . . 0.0 110.392 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -119.22 132.75 55.98 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.378 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -82.98 137.02 34.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.07 0.462 . . . . 0.0 110.671 177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -66.91 -23.54 66.0 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.01 -178.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 55.2 mtp180 -132.01 104.97 7.12 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.347 177.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.4 t30 -78.35 107.74 11.19 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -79.42 102.78 8.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.07 0.462 . . . . 0.0 111.095 -177.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.3 m -68.13 142.91 55.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.48 173.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.525 ' O ' ' HB ' ' A' ' 52' ' ' ILE . 32.7 mtm180 -81.55 20.2 0.93 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.019 0.437 . . . . 0.0 110.593 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.25 136.52 52.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.643 175.369 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -54.47 -32.55 58.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.269 -176.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' A' ' 14' ' ' LYS . 47.8 mtpt -57.87 -57.34 13.22 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.18 0.515 . . . . 0.0 110.946 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.3 m -62.29 -38.75 90.56 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.991 -176.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.601 HG21 ' CE ' ' A' ' 95' ' ' MET . 89.7 t -77.45 -41.45 29.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.635 -176.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.52 -37.38 85.83 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.668 0.27 . . . . 0.0 110.569 177.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -66.25 -42.4 88.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.167 177.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.0 m -66.3 -35.86 81.47 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.16 178.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . 0.414 ' CD2' HG12 ' A' ' 86' ' ' ILE . 85.2 t90 -66.34 -49.78 65.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.129 176.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -61.21 -34.29 74.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.213 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.72 4.16 19.82 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.506 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 27.2 m -125.29 -31.08 3.09 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.105 0.478 . . . . 0.0 110.887 179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -86.93 91.55 8.72 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.126 0.489 . . . . 0.0 110.995 -175.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 p -104.64 88.32 2.9 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.233 175.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.8 m -121.11 -64.61 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.206 -173.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -83.34 178.08 8.21 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.51 -172.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.2 m -61.28 156.77 17.91 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.483 177.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -55.32 -51.21 67.48 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 123.269 0.356 . . . . 0.0 111.722 -175.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -67.51 -27.47 67.01 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' O ' HG23 ' A' ' 35' ' ' VAL . 56.1 t80 -77.07 -48.28 18.24 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 178.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.2 tp60 -57.59 -36.56 71.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.711 0.767 . . . . 0.0 109.158 175.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -59.54 -54.51 45.68 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.956 175.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.445 ' HA ' ' OG1' ' A' ' 37' ' ' THR . 3.2 p -70.29 -22.92 62.8 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.427 -177.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.719 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 57.5 t -60.06 -52.5 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 170.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.53 ' O ' ' HG3' ' A' ' 40' ' ' GLU . 50.7 t-105 -62.71 -45.99 90.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.051 -177.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 34' ' ' SER . 62.2 p -62.08 -40.02 94.4 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.579 -0.282 . . . . 0.0 111.298 -177.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 38' ' ' ARG . 47.3 mtm-85 -68.96 -34.32 75.15 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.91 178.379 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.719 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -62.01 -44.14 97.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 176.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 36' ' ' TRP . 42.0 mt-10 -62.89 -37.89 88.72 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.303 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 13.0 m -87.72 -39.83 14.63 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.662 -170.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 70.1 m-85 -109.5 -39.21 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 -172.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.626 ' C ' ' HD2' ' A' ' 45' ' ' PRO . 21.6 tp -90.01 -66.72 0.9 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.934 0.716 . . . . 0.0 112.934 -166.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.562 ' N ' ' HD2' ' A' ' 45' ' ' PRO . 15.5 p90 -95.65 13.67 0.05 OUTLIER Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 115.808 1.781 . . . . 0.0 115.808 -172.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.626 ' HD2' ' C ' ' A' ' 43' ' ' LEU . 35.8 Cg_endo -68.24 -18.62 44.88 Favored 'Trans proline' 0 C--N 1.359 1.127 0 CA-C-N 122.342 1.872 . . . . 0.0 110.872 163.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -101.45 -61.12 1.42 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.227 178.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD11 ' HG ' ' A' ' 43' ' ' LEU . 16.1 pt -80.85 8.41 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.88 -177.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.35 -40.93 22.37 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.902 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -94.87 11.72 30.67 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.389 0.614 . . . . 0.0 110.217 -179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -114.28 145.44 41.75 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.413 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 54' ' ' GLU . 13.0 t70 -71.63 135.01 46.74 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.706 -0.479 . . . . 0.0 109.706 177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.525 ' HB ' ' O ' ' A' ' 11' ' ' ARG . 0.3 OUTLIER -60.6 -30.54 46.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.817 -0.629 . . . . 0.0 112.274 -175.293 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 95' ' ' MET . . . -91.71 -4.48 55.04 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.341 0.591 . . . . 0.0 110.573 -178.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.499 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 19.7 tt0 -97.39 6.79 47.7 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.009 -179.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 72.0 mt -99.38 148.99 23.63 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.871 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -107.03 166.12 10.84 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.357 174.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.416 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 4.9 m -46.84 -43.57 18.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.988 0.423 . . . . 0.0 110.787 176.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.615 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.67 -40.49 95.9 Favored Glycine 0 N--CA 1.447 -0.567 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.719 -179.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -60.07 -36.52 77.55 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.666 0.269 . . . . 0.0 111.265 -177.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 38.8 mt -75.08 -38.21 61.33 Favored 'General case' 0 C--O 1.244 0.791 0 CA-C-O 121.885 0.85 . . . . 0.0 110.449 178.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' O ' ' HB2' ' A' ' 65' ' ' LYS . 67.1 mt -70.51 -16.04 62.86 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.997 -176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 58' ' ' GLY . 59.5 t -72.31 -52.99 6.56 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.892 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 9.8 Cg_endo -55.83 -40.64 83.91 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.622 1.548 . . . . 0.0 111.35 171.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.494 HD12 HD23 ' A' ' 61' ' ' LEU . 78.3 mt -61.71 -38.66 80.9 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.369 0.604 . . . . 0.0 110.176 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.555 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 50.7 tttp -72.92 -29.05 62.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.889 -179.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 56.4 tttp -55.6 -44.36 76.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.563 173.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 21.8 mt -76.88 -34.9 23.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.555 177.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HB3' ' HA ' ' A' ' 65' ' ' LYS . 12.7 tt0 -53.88 -56.45 17.58 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.761 174.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -76.92 -4.03 41.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.4 -176.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 29.5 tp -78.76 -17.83 55.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.458 175.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.28 -21.1 22.59 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.025 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.448 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 96.9 m-85 -95.69 89.13 5.21 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.963 0.411 . . . . 0.0 111.182 -176.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.08 -34.81 68.96 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.549 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 83.8 mt-10 -71.92 -39.42 69.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.498 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.448 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.1 mt -67.62 -39.44 82.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 175.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.5 -47.0 85.56 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.955 0.407 . . . . 0.0 110.535 176.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.524 ' O ' ' HG2' ' A' ' 81' ' ' GLN . 73.2 mtm -64.98 -43.44 92.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.947 177.117 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -59.43 -43.88 92.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.277 178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.604 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 74.5 t -66.24 -38.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.8 0.333 . . . . 0.0 110.5 177.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.438 ' HG3' HD13 ' A' ' 64' ' ' ILE . 16.6 ttpp -62.22 -37.63 86.08 Favored 'General case' 0 C--O 1.224 -0.24 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 176.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.524 ' HG2' ' O ' ' A' ' 77' ' ' MET . 82.4 mm-40 -58.23 -48.76 79.39 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.495 177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.604 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 11.0 m-85 -55.86 -51.08 68.79 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-O 121.112 0.482 . . . . 0.0 109.824 175.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.0 -42.43 85.15 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.269 -179.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 29.3 m -65.57 -35.29 80.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.721 -178.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.21 -38.98 89.27 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.037 0.446 . . . . 0.0 109.978 175.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 82' ' ' TYR . 60.8 mt -67.48 -37.66 79.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.117 176.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.594 ' O ' HG23 ' A' ' 91' ' ' VAL . 65.8 mtt -64.51 -36.61 84.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.788 177.604 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 32.7 ttt180 -62.49 -43.61 98.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.198 0.523 . . . . 0.0 109.633 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -62.0 -38.61 89.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.676 175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.506 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -60.38 -44.36 95.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.4 177.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 87' ' ' MET . 44.1 t -60.11 -35.43 61.46 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-O 121.052 0.453 . . . . 0.0 110.482 178.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 24.5 mm-40 -69.31 -22.61 63.77 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.426 -179.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -100.53 6.7 44.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.012 0.434 . . . . 0.0 110.407 176.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 73.5 tttt 59.22 27.59 16.66 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.875 -176.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.601 ' CE ' HG21 ' A' ' 16' ' ' VAL . 49.1 mtp -66.81 -45.01 79.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.48 175.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.472 HG13 HG22 ' A' ' 91' ' ' VAL . 37.4 pt -121.89 136.23 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.549 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.402 173.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 33.9 mtm180 -67.94 -35.92 79.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.841 -177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -150.2 153.46 36.3 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.902 -0.59 . . . . 0.0 109.454 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.476 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 25.5 t-20 -79.1 116.4 59.9 Favored Pre-proline 0 C--N 1.326 -0.426 0 CA-C-O 120.642 0.258 . . . . 0.0 110.793 -177.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 99' ' ' ASN . 5.7 Cg_exo -79.72 -13.87 12.94 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 123.09 2.526 . . . . 0.0 112.804 -177.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -76.05 -35.51 59.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.73 0.3 . . . . 0.0 111.018 -176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -71.22 -8.56 54.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.253 178.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -69.55 -32.55 71.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.086 0.47 . . . . 0.0 109.784 176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -80.15 -39.56 29.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.019 177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -76.62 8.8 3.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.268 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.13 30.56 0.98 Allowed Glycine 0 N--CA 1.446 -0.641 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -72.09 150.16 44.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.979 0.419 . . . . 0.0 111.708 -175.062 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.566 HG12 ' H ' ' A' ' 110' ' ' LYS . 37.7 t -98.04 119.33 45.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.175 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 85.4 mm-40 -72.47 -10.01 59.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.647 -176.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 108' ' ' VAL . 65.6 mttm -70.76 -17.62 62.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.148 -177.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 81.6 mt -110.56 14.53 22.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.378 . . . . 0.0 110.772 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.436 ' OE1' ' HB2' ' A' ' 114' ' ' HIS . 6.4 tm-20 -83.6 146.36 28.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.836 -177.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -65.66 -43.87 88.06 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -172.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.436 ' HB2' ' OE1' ' A' ' 112' ' ' GLU . 96.6 m-70 -68.49 -20.43 64.6 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.03 0.443 . . . . 0.0 110.603 -178.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 53.9 m80 -80.66 -5.47 56.99 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.265 176.205 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 28.1 m170 -118.36 -166.24 1.2 Allowed 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.25 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -102.95 -55.77 2.36 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 174.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 23.7 m170 . . . . . 0 C--O 1.245 0.863 0 CA-C-O 118.445 -0.788 . . . . 0.0 109.845 175.45 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.1 mttm . . . . . 0 N--CA 1.482 1.149 0 CA-C-O 120.802 0.334 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -72.17 -3.76 25.25 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.767 -173.096 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.55 -31.41 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.348 0.594 . . . . 0.0 110.086 177.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 99.3 mt-30 -135.57 116.99 14.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.276 -179.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -55.81 147.74 18.36 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.621 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.354 -174.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -136.53 178.7 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.661 -174.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -86.56 -37.32 18.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.088 0.471 . . . . 0.0 110.251 179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -98.46 90.68 4.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.726 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.0 t -127.98 151.68 48.83 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.49 -177.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 11' ' ' ARG . 38.7 mtm105 57.63 21.56 7.35 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.28 -175.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -78.68 152.58 31.55 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.216 178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.475 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 39.0 t80 -52.28 -38.22 57.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.661 -179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.464 ' HA ' ' CE2' ' A' ' 44' ' ' PHE . 21.9 mtmm -58.62 -61.6 2.48 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.065 0.459 . . . . 0.0 111.145 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.8 m -60.93 -41.11 95.58 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.369 -175.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.572 HG21 ' CE ' ' A' ' 95' ' ' MET . 84.3 t -71.87 -41.01 69.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.258 -177.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -38.45 84.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.661 0.267 . . . . 0.0 110.677 175.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -66.19 -42.51 88.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.644 176.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.9 m -62.71 -40.84 98.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.179 0.514 . . . . 0.0 109.884 177.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -64.09 -47.26 80.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.51 176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -56.31 -37.91 70.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.331 -178.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.23 -10.96 58.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.75 -178.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.2 m -108.12 -22.04 12.55 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.405 0.621 . . . . 0.0 110.769 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -95.8 36.69 1.27 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.605 0.717 . . . . 0.0 109.746 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.7 p -76.93 21.2 0.22 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.705 -0.679 . . . . 0.0 112.193 -177.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -79.55 -16.61 55.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.237 0.541 . . . . 0.0 110.62 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 38.9 m0 -82.37 177.2 8.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.842 175.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.1 m -81.79 154.64 25.84 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -64.92 -38.02 89.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.622 0.248 . . . . 0.0 110.813 -175.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -61.56 -43.63 98.5 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.228 0.537 . . . . 0.0 110.468 177.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.544 ' O ' HG23 ' A' ' 35' ' ' VAL . 26.5 t80 -68.18 -47.78 67.03 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.473 179.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -60.26 -41.01 92.36 Favored 'General case' 0 N--CA 1.463 0.186 0 N-CA-C 111.718 0.266 . . . . 0.0 111.718 -179.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -63.05 -39.68 95.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.413 178.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.1 m -64.98 -41.54 95.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.227 176.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.633 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 82.6 t -60.85 -58.52 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.855 177.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -57.88 -44.43 86.68 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.989 -173.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.8 p -62.92 -43.48 98.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.999 0.428 . . . . 0.0 111.348 -178.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 73.2 mtt180 -71.01 -29.24 65.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.642 0.258 . . . . 0.0 110.825 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 74.6 mt -63.04 -50.72 69.54 Favored 'General case' 0 C--O 1.224 -0.259 0 N-CA-C 110.021 -0.363 . . . . 0.0 110.021 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -61.67 -29.42 70.07 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.025 0.44 . . . . 0.0 111.317 -179.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 36.0 m -76.52 -47.96 21.0 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.117 -0.492 . . . . 0.0 112.066 -177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -110.08 -32.35 7.04 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -172.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.536 HD21 ' HB2' ' A' ' 83' ' ' ALA . 14.2 tp -105.0 16.2 26.33 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.13 0.491 . . . . 0.0 111.542 -170.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.599 ' H ' ' CD ' ' A' ' 45' ' ' PRO . 5.6 m-85 -122.52 -39.17 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.637 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.599 ' CD ' ' H ' ' A' ' 44' ' ' PHE . 40.0 Cg_exo -58.02 -33.76 97.62 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 121.948 1.765 . . . . 0.0 113.383 -175.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -94.7 -47.17 6.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.91 -173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.541 HG21 HD23 ' A' ' 60' ' ' LEU . 6.6 pt -106.45 -5.92 10.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -170.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.475 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -63.79 -43.03 98.3 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.782 -0.723 . . . . 0.0 113.435 -174.098 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 67.2 t30 -101.35 -3.13 29.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.189 0.518 . . . . 0.0 110.937 -175.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.544 ' HB3' HD21 ' A' ' 55' ' ' LEU . 43.7 tttm -89.17 143.88 26.52 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.532 ' O ' ' HG ' ' A' ' 55' ' ' LEU . 11.6 t70 -53.32 121.56 7.83 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.018 0.437 . . . . 0.0 110.014 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.453 HG21 ' CE ' ' A' ' 95' ' ' MET . 0.3 OUTLIER -68.2 -27.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.505 -170.197 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.527 ' HA ' HG22 ' A' ' 96' ' ' ILE . . . -85.42 -27.32 25.84 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.438 0.637 . . . . 0.0 109.859 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' HB3' ' HB3' ' A' ' 51' ' ' ASP . 26.7 tt0 -68.54 -27.76 66.38 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.762 -1.108 . . . . 0.0 110.182 174.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.544 HD21 ' HB3' ' A' ' 50' ' ' LYS . 92.1 mt -59.02 117.66 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.551 -178.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -97.34 168.55 10.34 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.445 177.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 7.1 m -48.52 -38.98 21.76 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 122.534 0.334 . . . . 0.0 110.911 175.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.454 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.42 -45.36 95.1 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.978 -0.629 . . . . 0.0 112.644 179.035 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -58.7 -38.69 78.83 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.103 0.477 . . . . 0.0 110.785 -179.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.541 HD23 HG21 ' A' ' 47' ' ' ILE . 64.4 mt -78.96 -31.07 44.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.811 -178.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.616 HD11 HD21 ' A' ' 104' ' ' LEU . 18.4 mt -69.23 -21.57 63.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.336 178.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.525 ' HB ' ' CD ' ' A' ' 63' ' ' PRO . 48.3 t -57.5 -61.06 7.95 Favored Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.711 -0.396 . . . . 0.0 110.85 177.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.525 ' CD ' ' HB ' ' A' ' 62' ' ' VAL . 19.6 Cg_endo -61.24 -37.19 75.63 Favored 'Trans proline' 0 C--N 1.356 0.949 0 C-N-CA 122.05 1.834 . . . . 0.0 112.751 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 86.3 mt -63.22 -48.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-O 120.996 0.427 . . . . 0.0 110.822 178.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HE2' ' HB3' ' A' ' 65' ' ' LYS . 32.1 ttpt -63.9 -33.79 76.5 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.263 177.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 34.9 tttm -62.59 -31.85 72.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.885 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.3 mt -81.1 -36.51 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.898 0.38 . . . . 0.0 110.445 176.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -61.42 -43.31 99.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 175.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 44.0 tttm -61.62 -33.05 73.26 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.558 174.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 26.9 tp -65.95 -29.14 69.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.064 0.459 . . . . 0.0 109.997 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 107.15 19.19 9.66 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.736 177.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -126.14 89.33 3.0 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.488 ' O ' ' HG3' ' A' ' 77' ' ' MET . 93.5 mt -67.21 -39.93 86.35 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.166 178.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' O ' ' HG3' ' A' ' 78' ' ' ARG . 2.5 mp0 -56.68 -50.13 73.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.53 177.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mt -65.79 -39.57 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.795 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.83 87.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 0.0 110.537 176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.488 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 71.5 mtm -63.76 -45.83 88.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.611 176.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.484 ' HG3' ' O ' ' A' ' 74' ' ' GLU . 65.4 mtt180 -60.58 -52.42 65.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.5 -179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.422 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 87.9 t -60.91 -41.07 87.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.744 0.306 . . . . 0.0 110.589 -178.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 80' ' ' LYS . 1.9 tmmt? -65.79 -33.98 77.1 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.304 177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 21.5 tp60 -64.62 -47.44 78.53 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.451 -0.203 . . . . 0.0 110.451 175.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 15.3 m-85 -58.84 -46.1 88.5 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.576 ' HB1' ' HE3' ' A' ' 87' ' ' MET . . . -59.87 -42.0 92.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.119 178.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.413 HG23 HD22 ' A' ' 99' ' ' ASN . 98.4 m -57.77 -40.04 78.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.763 0.316 . . . . 0.0 110.895 178.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.23 -40.54 90.34 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.429 177.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.6 mt -65.26 -43.05 95.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.546 177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.576 ' HE3' ' HB1' ' A' ' 83' ' ' ALA . 62.9 mtt -64.14 -39.17 93.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.459 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.59 ' O ' ' HG2' ' A' ' 92' ' ' GLN . 61.3 ttp85 -66.05 -38.55 88.64 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -63.63 -39.6 94.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.791 175.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.49 -39.96 92.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.82 176.181 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 87' ' ' MET . 99.3 t -61.05 -40.47 85.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.103 175.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.59 ' HG2' ' O ' ' A' ' 88' ' ' ARG . 28.2 mm-40 -62.77 -39.77 95.21 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.702 -179.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -84.39 8.06 17.51 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.241 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 95.8 mttt 63.65 35.7 11.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.157 0.503 . . . . 0.0 111.031 177.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.572 ' CE ' HG21 ' A' ' 16' ' ' VAL . 57.0 mtp -87.24 -57.12 3.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.189 -178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.527 HG22 ' HA ' ' A' ' 53' ' ' ALA . 48.2 pt -110.24 173.13 2.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.767 0.317 . . . . 0.0 111.01 -177.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 62.7 mtt85 -74.28 -67.18 0.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.639 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -156.07 158.08 37.16 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.009 -0.996 . . . . 0.0 108.362 179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.517 ' HB2' ' HB2' ' A' ' 102' ' ' TYR . 1.7 m-20 -59.85 109.66 2.16 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 123.468 0.48 . . . . 0.0 110.988 -177.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -66.37 -35.16 32.3 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.575 2.183 . . . . 0.0 111.556 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -71.71 -13.68 61.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.955 179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.517 ' HB2' ' HB2' ' A' ' 99' ' ' ASN . 14.6 t80 -82.85 -30.93 28.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.69 -179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -78.93 -13.85 59.56 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.564 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.616 HD21 HD11 ' A' ' 61' ' ' LEU . 0.6 OUTLIER -62.97 -44.49 95.91 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -83.66 3.57 32.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.53 177.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -80.42 -14.74 79.68 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 174.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -89.96 100.73 13.49 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 174.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.48 105.58 10.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.728 -176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -79.95 -167.47 1.29 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.804 -0.634 . . . . 0.0 109.937 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -90.76 -36.0 14.54 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 24.6 tp 56.27 40.05 30.03 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 114.957 -1.02 . . . . 0.0 110.955 174.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -63.28 120.3 11.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.54 178.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -68.85 -28.08 66.41 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -83.39 88.14 6.97 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 170.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 66.7 m80 -77.29 93.47 4.01 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.933 0.397 . . . . 0.0 110.128 -177.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -107.65 101.81 11.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.157 -178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -92.34 158.34 16.14 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.041 178.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 7.7 p80 . . . . . 0 C--O 1.245 0.833 0 CA-C-O 119.111 -0.471 . . . . 0.0 110.245 -179.819 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 77.7 tttt . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -84.31 116.26 22.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.813 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 23.5 m -77.43 141.14 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 172.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -116.51 122.46 44.8 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.848 0.356 . . . . 0.0 111.557 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -88.6 132.14 34.67 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.933 -0.765 . . . . 0.0 108.933 172.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -70.9 -28.95 64.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.62 -172.023 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.1 ptt180 -142.55 154.93 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 176.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.526 ' ND2' HG22 ' A' ' 16' ' ' VAL . 17.9 t-20 -79.67 151.65 30.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.894 -178.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -90.93 -50.48 5.85 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.355 -178.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.1 p -126.63 137.56 53.32 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.945 176.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm105 -84.13 14.3 4.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -178.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.73 135.34 51.14 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 173.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 39.7 t80 -50.75 -37.23 40.7 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.469 0.48 . . . . 0.0 112.098 -174.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 18.5 pttm -61.47 -38.98 89.21 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-O 120.661 0.267 . . . . 0.0 110.925 -176.588 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.2 m -78.09 -35.02 49.87 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.659 0.742 . . . . 0.0 110.139 -176.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.592 HG21 ' CE ' ' A' ' 95' ' ' MET . 61.2 t -70.66 -53.7 21.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.045 -0.979 . . . . 0.0 110.87 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.57 -33.97 68.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.706 176.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 14' ' ' LYS . 78.0 tttt -67.65 -40.75 84.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.491 178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 38.8 m -70.29 -33.68 71.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.187 177.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 69.8 t90 -64.85 -45.63 85.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.207 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.628 ' CE2' ' HG3' ' A' ' 32' ' ' GLN . 51.6 t80 -56.39 -44.05 79.86 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.175 177.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.96 -35.26 69.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.791 -177.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -81.94 -20.95 37.59 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 -176.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -103.2 117.29 34.21 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.008 0.432 . . . . 0.0 111.129 -177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 35.1 p -121.67 22.83 10.43 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.463 0.649 . . . . 0.0 110.481 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.95 -1.76 40.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.906 -174.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 23.5 m0 -118.79 159.74 23.16 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.9 m -63.08 160.25 15.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 123.409 0.443 . . . . 0.0 111.354 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -60.0 -55.06 38.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.073 -172.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -66.79 -39.49 87.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.071 -178.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.47 ' O ' HG23 ' A' ' 35' ' ' VAL . 49.0 t80 -63.61 -49.19 74.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.711 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.628 ' HG3' ' CE2' ' A' ' 21' ' ' PHE . 7.2 tp60 -57.96 -44.48 87.06 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.967 0.413 . . . . 0.0 110.43 178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 29.4 ttm180 -56.89 -45.05 82.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.376 176.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 30.2 m -66.53 -36.24 82.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.177 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 79.3 t -60.13 -45.89 95.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-O 120.705 0.288 . . . . 0.0 110.272 177.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 54.7 t-105 -59.21 -51.87 68.11 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.05 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 25.5 m -62.39 -39.33 92.88 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.922 179.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.7 ttm180 -63.25 -34.77 78.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.634 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 96.0 mt -62.44 -46.35 88.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.897 175.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.772 ' HA ' ' HB2' ' A' ' 44' ' ' PHE . 42.9 mt-10 -63.95 -31.01 72.04 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 27.3 m -71.3 -52.02 21.15 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -179.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.473 ' HB3' HD11 ' A' ' 67' ' ' ILE . 98.4 m-85 -104.49 -32.21 9.1 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 113.682 0.994 . . . . 0.0 113.682 -168.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.508 ' HG ' HD11 ' A' ' 47' ' ' ILE . 14.7 tp -105.39 -42.71 5.17 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.855 -169.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.772 ' HB2' ' HA ' ' A' ' 40' ' ' GLU . 3.6 m-85 -60.29 -33.77 16.77 Favored Pre-proline 0 CA--C 1.545 0.751 0 N-CA-C 114.848 1.425 . . . . 0.0 114.848 -177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 58.3 Cg_exo -40.24 -41.98 3.44 Favored 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.552 2.168 . . . . 0.0 114.295 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -95.92 -52.71 3.95 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.508 HD11 ' HG ' ' A' ' 43' ' ' LEU . 13.4 pt -82.92 -2.11 6.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -174.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -58.52 118.14 12.78 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.344 -0.455 . . . . 0.0 112.419 178.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 63.83 13.54 7.6 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.004 0.522 . . . . 0.0 111.956 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -96.72 131.46 43.39 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 176.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.512 ' HB3' ' HG3' ' A' ' 54' ' ' GLU . 9.8 t0 -59.44 125.41 23.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.388 0.43 . . . . 0.0 109.857 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.59 HG13 HD12 ' A' ' 55' ' ' LEU . 17.7 tt -68.68 -21.77 26.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.299 -174.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.5 -8.79 59.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.591 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.512 ' HG3' ' HB3' ' A' ' 51' ' ' ASP . 47.7 mt-10 -96.18 -7.57 35.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.118 0.485 . . . . 0.0 110.039 175.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD12 HG13 ' A' ' 52' ' ' ILE . 93.4 mt -82.94 127.13 33.25 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.339 0.59 . . . . 0.0 111.491 -175.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -100.13 169.15 9.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.12 172.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.529 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 8.1 m -52.13 -38.85 58.81 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 174.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.566 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -63.03 -43.21 99.18 Favored Glycine 0 N--CA 1.449 -0.474 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.578 178.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -52.88 -46.46 67.95 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 121.194 0.521 . . . . 0.0 110.892 178.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 100' ' ' PRO . 30.8 mt -79.5 -32.11 42.35 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.468 -176.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 57' ' ' THR . 40.5 mt -65.69 -23.75 66.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.377 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.853 ' HB ' ' HD3' ' A' ' 63' ' ' PRO . 61.7 t -60.71 -60.63 10.02 Favored Pre-proline 0 CA--C 1.537 0.46 0 C-N-CA 120.674 -0.41 . . . . 0.0 111.147 178.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.853 ' HD3' ' HB ' ' A' ' 62' ' ' VAL . 52.5 Cg_exo -55.82 -42.07 70.96 Favored 'Trans proline' 0 C--N 1.355 0.87 0 C-N-CA 122.258 1.972 . . . . 0.0 112.35 176.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.0 mt -61.01 -51.88 68.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.304 0 CA-C-O 120.98 0.419 . . . . 0.0 110.727 178.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 6.5 ttpm? -59.52 -37.24 77.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.568 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 70' ' ' LEU . 85.3 tttt -57.45 -43.92 84.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.022 177.278 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 63' ' ' PRO . 43.0 mt -69.84 -37.05 72.26 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.635 -179.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -56.96 -52.9 63.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.3 0.572 . . . . 0.0 110.27 176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -78.21 -5.45 51.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.476 -0.783 . . . . 0.0 110.644 -177.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 20.2 tp -80.04 -15.34 57.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 174.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.88 -1.4 38.68 Favored Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.949 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -114.32 89.68 3.15 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.001 0.429 . . . . 0.0 111.083 -175.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.442 ' O ' ' HG3' ' A' ' 77' ' ' MET . 68.9 mt -75.13 -40.64 59.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.074 -178.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.3 -42.03 99.02 Favored 'General case' 0 CA--C 1.519 -0.221 0 CA-C-O 120.786 0.327 . . . . 0.0 110.206 177.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 46.3 mm -62.13 -46.94 95.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.066 177.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.91 80.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.499 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.442 ' HG3' ' O ' ' A' ' 73' ' ' LEU . 69.2 mtm -64.95 -44.91 87.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.034 -178.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 60.9 mtt180 -69.96 -39.93 75.7 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.58 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.553 ' HA ' ' CD2' ' A' ' 82' ' ' TYR . 77.3 t -66.41 -38.63 82.2 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 120.937 0.398 . . . . 0.0 110.125 177.247 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 ttpp -61.96 -41.05 97.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 175.165 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -63.98 -46.38 84.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.126 177.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 79' ' ' VAL . 23.1 m-85 -51.32 -53.19 38.46 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.232 0.539 . . . . 0.0 109.639 173.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -58.86 -43.15 90.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.561 -178.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 59.2 m -59.23 -38.76 80.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.956 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.1 -40.13 86.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.927 0.394 . . . . 0.0 110.387 178.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 82' ' ' TYR . 66.1 mt -65.35 -41.71 91.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.229 177.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.547 ' O ' HG23 ' A' ' 91' ' ' VAL . 62.8 mtt -66.98 -31.49 72.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.962 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 37.4 ttt180 -63.87 -39.53 94.41 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 175.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -66.14 -35.01 79.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.576 174.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -64.92 -34.75 79.16 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.304 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 87' ' ' MET . 71.0 t -65.19 -39.04 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 N-CA-C 109.843 -0.429 . . . . 0.0 109.843 176.175 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.48 -33.89 76.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.12 179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -86.65 8.09 23.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.746 178.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 93.9 mttt 61.46 28.57 17.89 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.277 176.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.592 ' CE ' HG21 ' A' ' 16' ' ' VAL . 34.9 mtp -78.36 -54.01 6.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.269 -177.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.559 HD12 ' HD3' ' A' ' 100' ' ' PRO . 15.7 pt -109.97 -18.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -175.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 97' ' ' ARG . 46.2 mtm180 71.23 -45.46 0.62 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.493 0.717 . . . . 0.0 112.143 -178.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -130.99 153.88 48.75 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.469 ' HB2' ' CE2' ' A' ' 102' ' ' TYR . 15.1 m120 -83.06 117.66 69.28 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.006 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.559 ' HD3' HD12 ' A' ' 96' ' ' ILE . 3.1 Cg_endo -87.13 9.94 3.75 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.304 2.669 . . . . 0.0 112.146 177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.455 ' HB2' ' SD ' ' A' ' 87' ' ' MET . . . -99.16 10.9 40.51 Favored 'General case' 0 CA--C 1.505 -0.75 0 CA-C-O 121.172 0.51 . . . . 0.0 110.786 177.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . 0.719 ' O ' HD22 ' A' ' 104' ' ' LEU . 22.4 m-85 -79.24 121.73 25.43 Favored 'General case' 0 N--CA 1.433 -1.31 0 N-CA-C 107.66 -1.237 . . . . 0.0 107.66 166.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -64.88 61.93 0.02 OUTLIER 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.999 -1.0 . . . . 0.0 110.948 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.719 HD22 ' O ' ' A' ' 102' ' ' TYR . 1.0 OUTLIER -56.1 -60.31 3.67 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.053 177.403 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 67.61 -67.59 0.18 Allowed 'General case' 0 N--CA 1.471 0.589 0 O-C-N 123.934 0.771 . . . . 0.0 110.925 -178.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -165.42 41.74 0.28 Allowed Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 110.718 -0.953 . . . . 0.0 110.718 -179.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -88.62 -174.99 4.78 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 20.6 t -62.96 -39.03 83.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.494 178.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -75.31 93.09 2.84 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.211 178.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -101.86 116.42 32.68 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.907 178.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 91.3 mt -72.44 118.49 15.4 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.63 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -68.13 120.04 13.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.019 178.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -77.94 127.6 32.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.26 -175.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -121.51 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.044 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -106.3 -12.63 15.63 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 173.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 78.0 m-70 -131.86 125.24 31.28 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 114.746 -1.115 . . . . 0.0 108.785 170.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 18.7 m170 65.72 90.3 0.09 Allowed 'General case' 0 N--CA 1.47 0.541 0 O-C-N 123.735 0.647 . . . . 0.0 110.153 -178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 C--O 1.244 0.81 0 CA-C-O 118.225 -0.893 . . . . 0.0 111.228 -175.125 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 53.8 mttp . . . . . 0 N--CA 1.473 0.708 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.734 ' HB2' ' HG2' ' A' ' 5' ' ' GLU . 27.5 p -81.6 96.54 7.51 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.667 0.746 . . . . 0.0 112.024 -169.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.5 m -106.42 130.63 57.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.229 -0.896 . . . . 0.0 109.228 170.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 56.88 78.02 0.24 Allowed 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.562 0.696 . . . . 0.0 109.375 -172.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.734 ' HG2' ' HB2' ' A' ' 2' ' ' SER . 34.5 mt-10 -83.84 152.12 24.76 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.285 -0.871 . . . . 0.0 111.352 -169.11 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -68.47 -54.25 18.13 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 172.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -114.67 141.94 47.14 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 107.521 -1.288 . . . . 0.0 107.521 166.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.456 HD22 ' HA ' ' A' ' 8' ' ' ASN . 10.3 m120 -71.33 80.99 0.75 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.837 0.827 . . . . 0.0 109.609 176.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -149.94 82.99 1.39 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 114.226 -1.352 . . . . 0.0 108.672 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.413 HG22 ' H ' ' A' ' 12' ' ' ALA . 15.9 m -69.43 116.33 9.72 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.083 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 93.6 mtt180 -84.97 14.2 5.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.186 -175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.509 ' HA ' ' O ' ' A' ' 50' ' ' LYS . . . -67.45 137.8 56.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.779 175.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 43.9 t80 -52.59 -42.25 64.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.842 -173.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -60.64 -41.61 95.28 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.77 0.319 . . . . 0.0 111.267 -176.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.9 m -76.96 -38.74 52.7 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.186 0.517 . . . . 0.0 110.669 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.604 HG21 ' HE1' ' A' ' 95' ' ' MET . 97.4 t -69.25 -40.62 80.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 -179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.62 88.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.326 . . . . 0.0 110.514 177.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -67.0 -43.47 82.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.05 177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 36.0 m -62.7 -41.17 98.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 177.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 70.0 t90 -61.35 -47.85 84.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.79 176.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 87.1 t80 -60.26 -33.94 73.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.467 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.17 -20.15 45.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.433 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 59.4 m -95.29 -37.03 11.18 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.321 -176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 53.5 tttp -99.42 117.63 34.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.009 0.433 . . . . 0.0 111.212 -176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.7 p -123.61 52.75 1.4 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.438 0.637 . . . . 0.0 110.703 -178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -85.28 -24.64 27.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.562 -175.524 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 5.4 m-90 -103.26 175.28 5.53 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.963 0.411 . . . . 0.0 110.906 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.8 m -75.81 163.75 26.93 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.875 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tm-20 -55.89 -53.57 55.18 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.321 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -60.49 -40.6 91.91 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.983 -179.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 35' ' ' VAL . 29.2 t80 -65.94 -48.84 70.0 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.472 -176.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.528 ' HB3' ' CE1' ' A' ' 21' ' ' PHE . 48.4 mt-30 -64.56 -33.6 76.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.7 0.286 . . . . 0.0 110.969 -179.334 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -60.67 -40.54 92.49 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 121.123 0.487 . . . . 0.0 110.254 176.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.588 ' O ' ' HG2' ' A' ' 38' ' ' ARG . 27.4 t -69.29 -47.12 65.47 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.154 176.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 31' ' ' TYR . 95.6 t -52.85 -51.61 35.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.203 179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.3 t-105 -58.26 -45.45 87.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.622 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.7 m -62.27 -43.12 99.56 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.811 178.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.588 ' HG2' ' O ' ' A' ' 34' ' ' SER . 40.6 mmt180 -59.35 -44.72 92.63 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.281 178.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 88.4 mt -58.4 -55.8 30.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.105 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 40.2 mt-10 -58.54 -29.6 66.46 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 120.746 0.307 . . . . 0.0 111.784 -177.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 19.6 m -82.53 -44.52 15.81 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 112.022 0.379 . . . . 0.0 112.022 -175.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -107.65 -40.2 5.38 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -171.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.592 ' HG ' HD11 ' A' ' 47' ' ' ILE . 16.3 tp -106.85 16.73 24.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.15 0.5 . . . . 0.0 111.429 -168.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.646 ' H ' ' HD2' ' A' ' 45' ' ' PRO . 3.1 m-85 -116.76 -39.36 0.06 OUTLIER Pre-proline 0 C--N 1.32 -0.68 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 179.655 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD2' ' H ' ' A' ' 44' ' ' PHE . 38.1 Cg_endo -64.44 -18.06 61.73 Favored 'Trans proline' 0 C--N 1.358 1.065 0 C-N-CA 121.772 1.648 . . . . 0.0 113.752 -170.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -106.51 -47.01 3.87 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -176.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.592 HD11 ' HG ' ' A' ' 43' ' ' LEU . 9.3 pt -105.2 -10.01 9.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -173.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -58.26 -41.7 95.06 Favored Glycine 0 N--CA 1.453 -0.17 0 C-N-CA 121.357 -0.449 . . . . 0.0 113.795 -172.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -91.74 0.9 57.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.68 0.24 . . . . 0.0 111.533 -176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 12' ' ' ALA . 47.4 mmtm -83.2 157.84 22.56 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.696 -0.229 . . . . 0.0 110.697 -176.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' HB2' ' HG3' ' A' ' 54' ' ' GLU . 2.5 m-20 -73.54 -4.12 31.98 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.482 -177.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.562 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.99 -39.61 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 O-C-N 123.528 0.518 . . . . 0.0 111.355 -178.565 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.84 -16.84 64.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.358 0.599 . . . . 0.0 110.242 176.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 51' ' ' ASP . 27.6 mt-10 -82.05 -21.66 36.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.675 177.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 52' ' ' ILE . 31.5 mt -93.42 101.84 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.027 -170.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -89.01 -169.17 2.42 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 171.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.537 HG21 HD23 ' A' ' 104' ' ' LEU . 5.7 m -54.41 -40.32 68.16 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 121.247 -0.181 . . . . 0.0 111.049 -178.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.594 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -61.99 -48.94 80.11 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.685 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -67.23 -21.32 65.75 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.5 mt -88.95 -37.94 14.85 Favored 'General case' 0 C--O 1.241 0.631 0 CA-C-O 121.318 0.58 . . . . 0.0 110.957 176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 57' ' ' THR . 35.0 mt -64.49 -30.95 71.98 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.574 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.594 HG23 ' O ' ' A' ' 58' ' ' GLY . 46.1 t -63.61 -54.98 38.25 Favored Pre-proline 0 CA--C 1.536 0.423 0 C-N-CA 120.658 -0.417 . . . . 0.0 112.086 -177.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.425 ' O ' ' HB3' ' A' ' 66' ' ' LYS . 8.0 Cg_endo -56.21 -40.22 86.2 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 121.43 1.42 . . . . 0.0 112.241 174.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.9 mt -64.96 -43.23 96.22 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-O 121.19 0.519 . . . . 0.0 110.421 176.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.2 tttp -63.04 -32.77 74.21 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.291 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 1.4 tmmm? -61.53 -37.39 83.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.364 174.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 56.7 mt -73.93 -37.58 48.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.374 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 64' ' ' ILE . 48.7 mt-10 -61.33 -42.62 98.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.442 0.639 . . . . 0.0 109.76 174.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -66.9 -25.32 66.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.171 -0.922 . . . . 0.0 110.652 177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 27.6 tp -68.61 -29.06 67.49 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.338 -178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.84 -27.34 8.77 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.115 177.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -81.36 88.45 6.1 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.06 0.457 . . . . 0.0 110.919 -178.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -69.95 -33.77 72.56 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.895 -178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -64.51 -40.81 96.33 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.676 0.274 . . . . 0.0 110.494 177.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.56 -39.1 78.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.283 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.4 -46.16 86.97 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.971 0.415 . . . . 0.0 110.632 176.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . . . . . . . . . 70.9 mtm -65.34 -43.74 89.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.57 177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.3 mtt180 -57.28 -54.8 42.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 69.4 t -60.59 -37.62 75.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.337 -177.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.83 -39.07 93.21 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.453 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -69.95 -43.39 71.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.677 178.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.465 ' O ' HG13 ' A' ' 86' ' ' ILE . 19.5 m-85 -56.73 -47.66 79.5 Favored 'General case' 0 C--O 1.232 0.137 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.542 ' O ' ' HG3' ' A' ' 87' ' ' MET . . . -61.27 -43.28 99.14 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.267 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 86.1 m -57.76 -41.12 81.32 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.736 0.303 . . . . 0.0 111.025 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.47 -41.55 96.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.542 177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 82' ' ' TYR . 64.2 mt -65.55 -39.99 86.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.391 177.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.578 ' O ' HG23 ' A' ' 91' ' ' VAL . 66.1 mtt -63.4 -37.41 87.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.694 179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 63.1 ttt180 -63.51 -40.43 97.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.146 0.498 . . . . 0.0 109.772 176.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -64.69 -39.29 93.41 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.86 175.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -62.25 -35.21 78.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.222 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 87' ' ' MET . 89.2 t -66.7 -42.36 89.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.009 0.433 . . . . 0.0 110.384 177.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -69.55 -29.68 67.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.577 178.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -85.73 0.06 53.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.827 178.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.7 mttt 61.49 32.08 18.88 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.403 175.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.604 ' HE1' HG21 ' A' ' 16' ' ' VAL . 46.3 mtp -79.72 -41.69 26.18 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.081 -0.963 . . . . 0.0 110.164 177.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 28.0 pt -125.66 173.88 10.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.336 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -72.88 -55.7 6.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.136 0.493 . . . . 0.0 110.107 178.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 52.8 t80 -162.0 173.84 13.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 -179.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -59.92 106.91 0.83 Allowed Pre-proline 0 C--N 1.328 -0.34 0 O-C-N 123.36 0.412 . . . . 0.0 110.524 178.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.42 ' HA ' ' HB2' ' A' ' 103' ' ' ASP . 23.8 Cg_exo -64.67 -25.87 61.36 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.537 2.158 . . . . 0.0 111.891 -176.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.68 -28.16 68.88 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.876 177.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -98.69 -30.54 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.991 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.42 ' HB2' ' HA ' ' A' ' 100' ' ' PRO . 15.8 m-20 -67.17 -21.02 65.82 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-O 120.935 0.398 . . . . 0.0 110.334 175.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.537 HD23 HG21 ' A' ' 57' ' ' THR . 2.9 tm? -59.86 -44.14 94.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.441 174.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -73.43 -15.6 61.34 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.393 179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -77.02 -13.75 83.35 Favored Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.346 175.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -95.03 99.2 11.25 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 175.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 7.2 t -69.82 136.8 25.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.749 -176.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -65.46 -37.36 86.65 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-O 121.326 0.584 . . . . 0.0 109.97 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -98.76 97.53 8.75 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 173.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 6.2 mp -76.15 50.69 0.63 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.302 0.852 . . . . 0.0 113.302 -167.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.0 mm-40 66.14 -78.98 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 170.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 36.5 m80 -84.05 155.32 22.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.368 0.604 . . . . 0.0 112.051 -168.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -106.27 96.14 6.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.191 -0.913 . . . . 0.0 109.61 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -72.25 -37.18 69.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -93.11 110.64 22.13 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 172.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.7 m-70 -88.17 179.17 6.43 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.951 -176.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 32.6 t-80 . . . . . 0 C--O 1.25 1.126 0 O-C-N 124.068 0.855 . . . . 0.0 110.797 178.417 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 N--CA 1.482 1.13 0 CA-C-O 120.648 0.261 . . . . 0.0 111.67 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -78.15 -40.46 37.87 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 112.066 0.395 . . . . 0.0 112.066 -171.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 74.4 t -66.35 -34.36 69.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.188 0.518 . . . . 0.0 110.899 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -98.42 -165.05 1.2 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.408 179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -92.81 113.53 25.83 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.169 0.509 . . . . 0.0 109.766 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 41.5 mttp -58.96 -31.5 68.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.817 -172.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 49.5 mtm180 -112.14 119.45 38.45 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 175.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.0 p-10 -79.23 50.01 1.02 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.615 0.722 . . . . 0.0 111.1 -176.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -102.5 -37.09 8.14 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.535 177.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 p -91.59 136.82 32.85 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.099 -178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.7 mtm180 65.34 3.02 2.13 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.283 -178.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.97 137.12 58.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 171.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.524 ' HB3' ' HA2' ' A' ' 48' ' ' GLY . 28.6 t80 -52.47 -35.55 52.85 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 123.52 0.512 . . . . 0.0 110.838 -177.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.496 ' HG3' ' HA3' ' A' ' 48' ' ' GLY . 22.9 mtpp -62.95 -47.78 81.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.189 0.519 . . . . 0.0 110.227 179.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 18' ' ' LYS . 10.4 m -72.18 -40.92 67.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.371 -176.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.517 HG21 ' CE ' ' A' ' 95' ' ' MET . 98.8 t -68.23 -37.35 77.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.975 -178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.39 -32.52 74.19 Favored 'General case' 0 C--N 1.321 -0.631 0 C-N-CA 120.792 -0.363 . . . . 0.0 110.452 175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.496 ' HB2' ' O ' ' A' ' 15' ' ' THR . 58.1 mttp -58.84 -49.69 76.79 Favored 'General case' 0 C--O 1.232 0.159 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.514 173.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p -67.5 -35.39 79.04 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.806 178.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -61.16 -42.49 98.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.937 0.399 . . . . 0.0 110.161 176.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CE1' ' HB3' ' A' ' 32' ' ' GLN . 74.2 t80 -61.32 -37.35 82.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.749 177.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.35 -29.84 47.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.278 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 85.7 m -73.48 -47.07 44.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.059 0.457 . . . . 0.0 110.799 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -83.82 115.37 22.21 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.583 0.706 . . . . 0.0 111.77 -174.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -125.79 81.09 1.95 Allowed 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.32 174.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.8 m -128.29 -58.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.92 -174.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.592 ' HE3' HE21 ' A' ' 32' ' ' GLN . 28.8 m0 -76.54 165.85 24.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.262 179.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 24.3 m -61.94 152.12 33.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.147 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -57.36 -39.98 77.12 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -173.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -78.58 -24.45 45.5 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 111.722 0.267 . . . . 0.0 111.722 -178.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' O ' HG23 ' A' ' 35' ' ' VAL . 8.7 t80 -74.1 -33.76 63.71 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 173.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.592 HE21 ' HE3' ' A' ' 27' ' ' TRP . 10.3 mm-40 -67.74 -38.08 83.03 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.107 171.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -59.73 -48.0 83.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.546 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 11.3 p -67.09 -42.56 84.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.032 -178.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 55.7 t -59.55 -49.2 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.184 0 CA-C-O 120.648 0.261 . . . . 0.0 110.452 175.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 -56.82 -51.74 67.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.166 -179.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -63.95 -37.28 86.82 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.13 0.49 . . . . 0.0 110.904 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.439 ' HD3' HG23 ' A' ' 75' ' ' ILE . 15.0 ttm-85 -61.86 -45.54 93.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.124 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.553 ' HB3' ' CE1' ' A' ' 44' ' ' PHE . 94.2 mt -62.04 -48.78 78.74 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.141 -179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' HA ' ' CG ' ' A' ' 44' ' ' PHE . 24.8 mt-10 -58.17 -36.34 72.9 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -177.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 21.2 m -76.07 -44.87 36.92 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.284 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -107.33 -41.75 5.02 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -169.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.641 ' HG ' HD11 ' A' ' 47' ' ' ILE . 35.4 tp -90.19 -47.47 7.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.922 0.391 . . . . 0.0 111.615 -170.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' CE1' ' HB3' ' A' ' 39' ' ' LEU . 4.4 m-30 -56.93 -47.61 98.78 Favored Pre-proline 0 CA--C 1.541 0.618 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 44' ' ' PHE . 19.7 Cg_endo -56.78 -23.89 52.56 Favored 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.648 2.232 . . . . 0.0 114.413 -169.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -101.31 -17.32 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.583 0.586 . . . . 0.0 112.583 -174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.641 HD11 ' HG ' ' A' ' 43' ' ' LEU . 11.7 pt -123.28 -25.7 2.01 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 N-CA-C 112.689 0.625 . . . . 0.0 112.689 -176.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA2' ' HB3' ' A' ' 13' ' ' PHE . . . -68.93 -11.22 62.89 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 121.067 -0.587 . . . . 0.0 113.731 -170.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -99.04 2.87 46.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.712 0.291 . . . . 0.0 110.932 -178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 50' ' ' LYS . 5.9 mmtt -107.63 168.57 9.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.748 0.309 . . . . 0.0 110.8 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.37 -1.91 12.05 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.643 -177.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.535 HD13 HD12 ' A' ' 55' ' ' LEU . 0.3 OUTLIER 73.54 -35.95 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 C-N-CA 122.886 0.474 . . . . 0.0 111.327 -178.763 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.81 -24.85 61.79 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.803 0.335 . . . . 0.0 111.676 -178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.35 17.98 16.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.963 0.411 . . . . 0.0 110.944 178.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.535 HD12 HD13 ' A' ' 52' ' ' ILE . 82.8 mt -90.03 100.2 13.07 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 175.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -76.26 178.09 6.73 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.249 -178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.528 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 25.1 m -57.19 -45.31 83.87 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.226 0.536 . . . . 0.0 109.717 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.624 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -65.46 -39.5 95.73 Favored Glycine 0 N--CA 1.445 -0.704 0 CA-C-N 115.434 -0.803 . . . . 0.0 112.572 179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -60.39 -33.61 72.72 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.758 0.279 . . . . 0.0 111.185 -177.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD23 HG21 ' A' ' 47' ' ' ILE . 64.2 mt -86.71 -27.97 23.37 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 0.0 110.788 178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' A' ' 57' ' ' THR . 53.4 mt -66.31 -28.32 68.59 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.651 175.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 58' ' ' GLY . 60.2 t -57.58 -58.39 18.62 Favored Pre-proline 0 CA--C 1.538 0.499 0 CA-C-O 119.253 -0.403 . . . . 0.0 111.571 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.525 ' HB2' HD12 ' A' ' 43' ' ' LEU . 22.6 Cg_endo -63.91 -33.93 61.91 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.077 1.851 . . . . 0.0 113.255 177.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 89.3 mt -65.29 -49.55 78.17 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 CA-C-O 121.155 0.502 . . . . 0.0 110.5 175.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.432 ' HA ' ' HB3' ' A' ' 68' ' ' GLU . 38.0 ttpt -63.34 -33.22 75.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.421 176.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.521 ' HB3' ' O ' ' A' ' 63' ' ' PRO . 86.1 tttt -51.57 -48.78 63.0 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.818 174.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 55.8 mt -73.3 -37.89 52.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.631 178.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' HG3' ' CD2' ' A' ' 73' ' ' LEU . 42.9 tt0 -58.17 -47.94 81.84 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.481 176.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -75.69 -15.9 60.24 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.526 179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 66' ' ' LYS . 22.3 tp -74.59 -16.33 60.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.836 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.61 -12.27 35.71 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.782 -0.645 . . . . 0.0 112.325 177.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' HB3' ' HB ' ' A' ' 75' ' ' ILE . 20.4 m-85 -98.23 77.15 2.38 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 122.501 -0.411 . . . . 0.0 110.693 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.447 ' CD2' ' HG3' ' A' ' 68' ' ' GLU . 78.8 mt -63.29 -41.83 99.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.438 ' HA ' ' HE2' ' A' ' 77' ' ' MET . 6.1 tm-20 -63.66 -41.28 98.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.68 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.535 ' HB ' ' HB3' ' A' ' 72' ' ' TYR . 46.9 mt -71.23 -38.53 70.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.052 178.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.09 -44.56 83.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.802 0.334 . . . . 0.0 110.543 177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' MET . . . . . 0.438 ' HE2' ' HA ' ' A' ' 74' ' ' GLU . 71.8 mtm -61.62 -43.57 98.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.545 176.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.1 mtt180 -62.69 -50.82 69.64 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.491 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 99.1 t -62.14 -39.41 83.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.803 -178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -61.01 -38.44 86.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.311 176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 71.7 mm-40 -68.76 -47.05 67.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.836 -0.165 . . . . 0.0 111.245 177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -56.52 -45.92 80.86 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 175.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.648 ' O ' ' HG2' ' A' ' 87' ' ' MET . . . -61.29 -44.35 97.37 Favored 'General case' 0 C--O 1.221 -0.41 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.995 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 88.4 m -59.39 -36.92 76.71 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 120.771 0.319 . . . . 0.0 111.262 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -64.04 -38.23 90.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.098 0.475 . . . . 0.0 110.13 176.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 56.4 mt -72.09 -33.66 47.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.277 177.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.648 ' HG2' ' O ' ' A' ' 83' ' ' ALA . 24.8 mmt -59.1 -48.64 80.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.653 178.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -65.35 -36.25 83.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.89 0.376 . . . . 0.0 110.017 179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -60.9 -41.32 95.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.576 175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 95' ' ' MET . . . -62.9 -43.11 99.68 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.382 178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 96' ' ' ILE . 47.9 t -60.21 -43.76 93.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.143 0.497 . . . . 0.0 110.427 178.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -73.51 -17.84 61.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.984 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -95.84 5.06 52.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.618 -177.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt 65.28 38.24 5.98 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.533 0.682 . . . . 0.0 110.846 -179.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.517 ' CE ' HG21 ' A' ' 16' ' ' VAL . 75.5 mtp -97.8 -56.77 2.41 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.138 177.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.521 HG13 HG22 ' A' ' 91' ' ' VAL . 27.5 pt -121.35 149.92 24.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.805 179.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -80.7 -36.25 32.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.844 0.354 . . . . 0.0 111.472 -176.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -139.14 172.51 12.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.224 -0.443 . . . . 0.0 109.922 -179.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.42 ' HA ' ' HD3' ' A' ' 100' ' ' PRO . 48.9 t-20 -97.94 111.76 60.0 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 120.761 0.315 . . . . 0.0 110.751 -177.234 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.539 ' HB2' HD12 ' A' ' 60' ' ' LEU . 4.6 Cg_exo -79.08 -6.46 14.96 Favored 'Trans proline' 0 CA--C 1.533 0.466 0 C-N-CA 123.136 2.557 . . . . 0.0 112.804 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.14 19.44 0.56 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.677 0.275 . . . . 0.0 111.146 179.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.65 0.09 57.38 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.105 -0.332 . . . . 0.0 110.105 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 60.33 44.96 11.72 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.705 173.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.685 ' H ' HD23 ' A' ' 104' ' ' LEU . 1.3 pt? -97.62 21.76 9.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -172.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -69.5 103.08 1.95 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.131 0.491 . . . . 0.0 110.152 179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 136.77 -9.54 3.96 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -73.35 -33.73 65.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 110.452 177.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -92.3 105.68 16.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 174.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 93.6 mt-30 -84.78 92.86 8.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.006 -175.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -63.95 112.54 2.98 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 174.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 82.7 mt -66.59 114.62 5.68 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.176 0.513 . . . . 0.0 111.524 -175.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -76.03 -61.77 1.82 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.394 174.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -76.85 119.57 20.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.249 -0.432 . . . . 0.0 109.952 174.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -100.78 124.17 46.04 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.137 0.494 . . . . 0.0 111.624 -177.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -132.97 123.46 25.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.189 173.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 37.5 t60 -69.6 -29.6 67.16 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.066 0.46 . . . . 0.0 109.798 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.1 t60 -95.43 124.66 39.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.729 -0.668 . . . . 0.0 109.874 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.7 t60 . . . . . 0 C--O 1.242 0.673 0 CA-C-O 118.635 -0.698 . . . . 0.0 109.419 176.068 . . . . . . . . 0 0 . 1 stop_ save_