data_2le4_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 2le4 _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 ' 7' ' ' PRO . . . . . 0.416 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo . . . . . 0 N--CA 1.46 -0.455 0 CA-C-O 120.818 0.258 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.681 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.489 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.509 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.621 ' HB3' ' HE2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.588 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.621 ' HE2' ' HB3' ' A' ' 18' ' ' GLN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.458 ' ND2' ' HE2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.681 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.7 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 1.123 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 1.123 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 25.3 Cg_exo . . . . . 0 CA--C 1.531 0.342 0 CA-C-O 120.976 0.323 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.514 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.3 OUTLIER -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.566 ' HA ' ' HE1' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.443 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.631 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' HD12 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.43 ' HE3' ' OE1' ' A' ' 18' ' ' GLN . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.717 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.445 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.456 -0.679 0 N-CA-C 110.67 -0.55 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.436 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' ' 53' ' ' PHE . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.642 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.622 HH12 ' HB1' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.645 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.435 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.526 ' HE1' ' SD ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.425 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' HD11 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.642 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.555 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 N--CA 1.456 -0.704 0 N-CA-C 109.379 -1.047 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.635 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.617 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.615 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.556 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.711 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.56 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.635 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.6 m80 . . . . . 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 120.847 0.27 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.543 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.634 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.489 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.489 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.538 ' HB3' HD13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.697 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.697 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.816 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.551 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.464 -0.26 0 N-CA-C 110.762 -0.515 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.849 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.849 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.452 HG21 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.588 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.425 ' HB3' HD13 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.65 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.405 ' CD ' ' HZ2' ' A' ' 50' ' ' LYS . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 121.082 0.367 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.722 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.454 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.454 ' HE2' ' SD ' ' A' ' 22' ' ' MET . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.753 HD21 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.753 ' N ' HD21 ' A' ' 31' ' ' ASN . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.401 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.521 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 CA-C-O 121.217 0.424 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.54 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.447 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.616 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.648 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.648 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.234 0.313 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.493 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.681 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.495 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.468 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.681 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.586 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.678 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.675 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.704 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.675 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.704 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.233 0.238 0 CA-C-O 121.085 0.369 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' O ' HD11 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.891 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.891 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.479 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.451 -0.991 0 CA-C-O 120.946 0.311 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.63 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.63 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.602 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.415 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' HG13 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' HG21 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.436 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.628 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.665 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 22' ' ' MET . 0.3 OUTLIER -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.646 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.405 ' HE3' ' SD ' ' A' ' 22' ' ' MET . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.429 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.566 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.553 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 61' ' ' ARG . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 C--O 1.235 0.36 0 CA-C-O 121.28 0.45 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PHE . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.454 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 22' ' ' MET . 56.6 tp60 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 29' ' ' MET . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HA ' HD11 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 15' ' ' SER . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.525 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.559 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.65 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.627 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo . . . . . 0 C--O 1.233 0.26 0 CA-C-O 121.107 0.378 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.4 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.456 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.594 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.473 ' HA ' HD21 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.654 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.566 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.48 ' O ' HD11 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.678 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.503 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo . . . . . 0 CA--C 1.531 0.352 0 CA-C-O 121.034 0.347 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.523 HG11 ' O ' ' A' ' 53' ' ' PHE . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.419 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.56 ' OE1' ' HD2' ' A' ' 21' ' ' LYS . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CD ' ' HZ1' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.406 HG21 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 . . . . . 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 C--O 1.234 0.303 0 CA-C-O 120.713 0.214 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.649 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.649 ' HE1' ' SD ' ' A' ' 22' ' ' MET . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.592 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HG3' ' HA ' ' A' ' 47' ' ' GLU . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.592 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.592 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 N--CA 1.46 -0.491 0 N-CA-C 109.896 -0.848 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.613 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.627 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.613 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.525 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.429 HD22 ' HG2' ' A' ' 22' ' ' MET . 0.4 OUTLIER -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.627 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HA ' HD21 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.656 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.574 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 C--O 1.234 0.282 0 N-CA-C 114.484 0.917 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.493 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.415 ' HE1' HD12 ' A' ' 34' ' ' ILE . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' HE3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.492 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.415 HD12 ' HE1' ' A' ' 22' ' ' MET . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.421 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.653 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.529 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.429 ' N ' HD12 ' A' ' 60' ' ' LEU . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--O 1.233 0.253 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.569 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 9' ' ' ASN . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.529 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.652 ' HE3' ' HE2' ' A' ' 29' ' ' MET . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.652 ' HE2' ' HE3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.458 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.629 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.704 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.704 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.4 t60 . . . . . 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.45 -1.086 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.537 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 9' ' ' ASN . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.528 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.5 ' HA ' HD22 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.594 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.675 ' HG2' HD11 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.618 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 3.8 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.401 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.675 HD11 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.784 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.784 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.641 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HB2' ' HE ' ' A' ' 51' ' ' ARG . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -127.58 13.74 7.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.236 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.31 122.61 12.95 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -79.68 164.91 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.724 -172.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -132.45 105.48 7.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.502 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.426 HH11 ' HD3' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -109.72 155.09 42.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -176.733 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.416 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo -78.15 139.92 17.34 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.922 2.414 . . . . 0.0 111.685 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.418 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.681 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.489 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.509 ' HA ' HD21 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.621 ' HB3' ' HE2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.588 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.588 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.621 ' HE2' ' HB3' ' A' ' 18' ' ' GLN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.458 ' ND2' ' HE2' ' A' ' 29' ' ' MET . 0.8 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.506 ' HB3' HD12 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.506 HD12 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.509 HD21 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.529 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.681 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.7 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.598 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 1.123 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 1.123 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.598 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.478 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' O ' ' HG3' ' A' ' 65' ' ' MET . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -76.79 -35.45 57.63 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.493 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -79.38 -15.06 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -68.33 -13.28 62.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.073 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -98.58 167.67 10.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -55.51 143.75 56.4 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-O 120.503 0.192 . . . . 0.0 110.524 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 -177.78 3.07 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.529 2.153 . . . . 0.0 112.124 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 10.5 p-10 -84.75 24.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.83 120.3 6.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.199 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.55 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 87.7 mttt -103.7 -164.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.283 0.563 . . . . 0.0 112.169 -170.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -58.47 116.92 3.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.017 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HD3' ' HG2' ' A' ' 78' ' ' LYS . 16.9 ptt180 -45.73 143.86 2.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.715 175.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 25.0 Cg_exo -63.74 -47.17 7.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.728 2.285 . . . . 0.0 111.399 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.25 -51.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.55 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -131.38 156.72 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.802 ' HE3' ' HA ' ' A' ' 81' ' ' THR . 63.1 pttt -135.88 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 110.185 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -91.49 32.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.593 0.711 . . . . 0.0 110.643 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -153.05 52.49 0.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.802 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 8.0 t . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.098 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.98 0.419 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.42 ' CG ' ' HE2' ' A' ' 68' ' ' HIS . 12.2 t70 -84.47 94.33 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -175.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -135.99 166.47 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.014 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.408 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 27.5 m -96.02 169.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.616 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD2' ' C ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -132.76 173.85 10.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 -177.723 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 -109.81 150.87 41.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.422 ' HB3' ' HB2' ' A' ' 57' ' ' ALA . 25.3 Cg_exo -63.63 124.39 13.61 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.847 2.365 . . . . 0.0 111.963 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.514 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.3 OUTLIER -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.419 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.566 ' HA ' ' HE1' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.717 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.443 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.631 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' HD12 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.631 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.43 ' HE3' ' OE1' ' A' ' 18' ' ' GLN . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.531 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.531 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.448 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.717 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.445 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.537 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB2' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.537 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.581 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.9 m-70 -82.26 -19.08 40.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.573 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.1 ptm -72.78 -27.44 61.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.132 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -83.51 -57.48 3.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.82 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.581 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 19.9 tp10 -120.38 120.72 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.446 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 11.1 p-80 -151.39 143.13 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -87.33 -165.2 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.397 2.731 . . . . 0.0 112.086 175.592 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.75 17.45 3.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.77 113.82 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -103.43 5.49 37.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.92 -169.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.28 117.27 21.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -119.28 156.84 52.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.95 136.11 40.17 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.736 1.624 . . . . 0.0 110.409 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 ttm-85 -74.0 -85.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.989 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -154.55 127.6 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 0.0 111.33 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -111.4 74.84 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 165.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.1 m -92.7 83.87 4.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -85.07 125.48 32.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.635 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.439 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.27 92.68 0.05 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.091 0.472 . . . . 0.0 112.266 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -111.24 124.34 52.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.49 172.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.62 116.73 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.253 0.549 . . . . 0.0 111.314 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 64' ' ' HIS . 2.2 mptt -100.95 116.97 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.857 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.43 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 14.2 mmt180 -109.48 142.33 25.47 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.675 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 3.7 Cg_exo -80.89 101.97 1.34 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.071 2.514 . . . . 0.0 110.67 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.436 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' O ' ' A' ' 53' ' ' PHE . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.642 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.41 ' HA ' HD21 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.622 HH12 ' HB1' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.645 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.435 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.487 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.526 ' HE1' ' SD ' ' A' ' 22' ' ' MET . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.425 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.473 ' HA ' HD11 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.491 ' O ' HD11 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.524 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.642 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.524 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.557 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.56 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.612 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.534 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.555 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.529 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.639 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.426 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 49.1 t-80 -82.78 -27.69 30.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.7 ttp -73.3 -21.72 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.365 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.46 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -78.1 -3.97 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.389 178.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -87.97 165.11 15.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.308 -177.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 92.13 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.488 1.115 . . . . 0.0 113.613 -174.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.503 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 72.8 Cg_endo -71.6 -3.68 13.55 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.789 2.992 . . . . 0.0 113.714 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -84.19 23.99 1.0 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.753 0.311 . . . . 0.0 111.144 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 73' ' ' TYR . 13.7 p90 -68.15 169.4 10.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.924 0.392 . . . . 0.0 111.191 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.454 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 14.2 ptpt -76.84 0.01 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -171.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 27.3 m-85 -82.48 112.01 19.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -117.51 143.84 32.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.748 -170.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo -76.28 161.63 34.77 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.323 2.682 . . . . 0.0 110.932 173.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -102.26 139.51 37.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.799 0.333 . . . . 0.0 110.951 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -72.25 124.13 24.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.46 97.59 2.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.1 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.2 m -68.36 168.28 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.191 178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.405 ' C ' ' HG1' ' A' ' 81' ' ' THR . 9.6 tmtm? 70.65 75.63 0.2 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.99 0.9 . . . . 0.0 109.044 -176.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.405 ' HG1' ' C ' ' A' ' 80' ' ' LYS . 85.1 m . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.81 178.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.348 0.594 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.526 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 6.9 p-10 -157.49 -154.35 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.661 -174.144 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.526 ' HD3' ' OD2' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.2 125.69 25.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 111.982 -173.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 m -124.43 -166.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.46 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.458 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 69.7 mmtt -67.92 131.72 46.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.249 0.547 . . . . 0.0 110.925 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.52 156.65 56.26 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.079 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.16 89.24 0.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.148 1.899 . . . . 0.0 109.379 164.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HB2' ' CB ' ' A' ' 53' ' ' PHE . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.554 HG12 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.711 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.635 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.617 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.615 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.556 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.615 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' O ' HD12 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.615 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.478 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.711 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.538 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.581 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.498 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.498 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' HG12 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.56 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.622 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.635 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.626 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -79.36 -18.92 51.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.626 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.5 ptt? -78.24 -25.63 46.97 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 40.0 mtpt -73.8 -45.08 53.72 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.596 170.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.422 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 51.9 mt-10 -63.98 -62.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.7 p80 43.18 83.78 0.2 Allowed Pre-proline 0 N--CA 1.469 0.498 0 C-N-CA 123.876 0.87 . . . . 0.0 111.075 -168.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.12 163.88 21.42 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.158 2.572 . . . . 0.0 112.731 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.24 12.22 16.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.401 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -64.63 136.9 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -66.11 85.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -118.45 112.31 19.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.477 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 99.2 mtt180 -115.91 160.39 35.45 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.477 ' HD2' ' HB3' ' A' ' 74' ' ' ARG . 1.1 Cg_endo -43.09 147.89 0.65 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.115 3.21 . . . . 0.0 113.642 -177.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -104.68 134.27 48.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.301 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -85.67 95.7 9.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt 63.52 -173.18 0.16 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.836 0.71 . . . . 0.0 110.148 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.5 m -151.87 -56.89 0.14 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.077 0.465 . . . . 0.0 109.875 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 119.77 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.847 178.584 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.86 115.84 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.899 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 13.0 ptp180 -136.02 125.14 24.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.539 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.57 147.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.911 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.608 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 5.7 mmpt? -149.1 157.45 43.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.683 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.59 152.25 91.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.111 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo -65.23 149.89 88.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.982 2.454 . . . . 0.0 111.556 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.543 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.634 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.584 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.489 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.489 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.538 ' HB3' HD13 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.443 ' H ' ' CD ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.538 HD13 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.584 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.561 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.561 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.697 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.697 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.816 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.634 ' CD2' ' HB2' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.551 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -79.54 -26.4 41.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.1 ttm -86.42 -52.46 5.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -24.3 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -117.0 125.87 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.061 0.457 . . . . 0.0 111.134 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.87 85.66 1.82 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.881 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.11 -58.39 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.339 2.026 . . . . 0.0 112.609 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.26 -22.49 9.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -171.9 169.05 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.762 -173.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -106.48 167.43 9.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.69 111.03 0.41 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.609 0.568 . . . . 0.0 112.041 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.899 ' HA ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ptm180 -75.2 155.12 86.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.792 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 140.23 29.97 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.343 2.028 . . . . 0.0 112.493 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -83.9 -26.71 29.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.266 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 68.08 -179.79 0.23 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.595 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 59.9 mmtt 62.69 11.08 4.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.172 0.51 . . . . 0.0 111.095 -172.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 m -95.06 91.22 6.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -175.9 -44.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.574 -179.57 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.59 106.59 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.894 0.746 . . . . 0.0 110.128 -173.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.538 ' NE ' ' H ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -87.27 128.38 35.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.733 -174.709 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.556 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 21.4 t 66.38 149.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.81 173.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.556 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -146.43 97.62 2.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.797 177.494 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -110.32 158.88 34.05 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 100.78 0.39 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.178 1.919 . . . . 0.0 110.762 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.849 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.407 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.849 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.452 HG21 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.588 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.588 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.48 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 24' ' ' GLN . 0.1 OUTLIER -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.425 ' HB3' HD13 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.535 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.65 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.65 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.534 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.405 ' CD ' ' HZ2' ' A' ' 50' ' ' LYS . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.538 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.424 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.99 -43.42 24.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.34 -26.78 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -76.36 -15.47 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.3 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.403 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 7.2 mm-40 61.2 -163.07 0.26 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.402 ' NE2' ' HB3' ' A' ' 70' ' ' ASP . 30.0 t60 66.88 82.33 0.2 Allowed Pre-proline 0 N--CA 1.469 0.494 0 CA-C-O 121.239 0.542 . . . . 0.0 110.72 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 31.3 Cg_exo -63.26 -16.88 57.29 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.371 2.714 . . . . 0.0 113.564 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.402 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 2.9 t70 -67.11 -16.47 64.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.897 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -126.85 45.04 2.77 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.996 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 69' ' ' PRO . 52.1 pttt -164.54 23.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.868 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -115.93 113.72 23.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.902 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -117.24 144.76 34.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 16.9 Cg_exo -67.13 94.56 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.628 2.218 . . . . 0.0 113.576 -174.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -83.58 -42.88 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 167.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -174.07 138.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.246 -1.343 . . . . 0.0 107.661 171.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -72.93 91.29 1.53 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.459 0.647 . . . . 0.0 110.897 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -96.76 103.23 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.342 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -64.09 -38.8 92.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.361 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 64.1 94.51 0.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.673 0.608 . . . . 0.0 111.168 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -83.91 157.69 21.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.797 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m 52.34 105.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.959 1.304 . . . . 0.0 112.923 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 69.4 mmtt -83.88 116.73 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.31 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -109.84 166.12 11.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.062 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.89 146.36 21.64 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.628 2.219 . . . . 0.0 112.174 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.465 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.426 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.722 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.722 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.448 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.454 ' SD ' ' HE2' ' A' ' 29' ' ' MET . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.454 ' HE2' ' SD ' ' A' ' 22' ' ' MET . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.753 HD21 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.753 ' N ' HD21 ' A' ' 31' ' ' ASN . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.421 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.465 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.401 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.445 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.521 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.627 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.627 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 65' ' ' MET . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -79.13 -27.82 42.86 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.4 mtm -71.26 -20.11 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.335 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -75.95 -1.15 24.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.67 110.34 22.62 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.39 77.6 3.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -172.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.5 -50.73 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.642 2.228 . . . . 0.0 112.619 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.558 ' OD1' ' HG3' ' A' ' 72' ' ' LYS . 1.1 p30 -94.57 -16.35 23.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.107 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' ' HE1' ' A' ' 73' ' ' TYR . 98.5 m-85 62.38 56.37 2.13 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.349 0.405 . . . . 0.0 111.902 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.558 ' HG3' ' OD1' ' A' ' 70' ' ' ASP . 37.3 mtmm -80.33 13.03 2.58 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.333 177.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' HE1' ' HD1' ' A' ' 71' ' ' TYR . 11.1 p90 -106.14 119.76 40.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 66.9 mtp180 -116.92 142.38 29.74 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 168.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 15.2 Cg_exo -70.1 -36.61 9.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.518 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 65.22 113.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.398 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -79.62 87.28 5.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -74.6 114.48 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.69 171.72 10.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.834 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -83.26 105.11 13.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.25 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.46 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.818 0.342 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -131.53 105.15 7.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.674 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -90.56 179.77 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.6 104.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.836 0.827 . . . . 0.0 111.568 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -108.16 98.08 7.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.094 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -104.54 145.62 31.03 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.465 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.46 172.44 3.45 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.672 2.248 . . . . 0.0 111.843 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.54 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.467 ' HB3' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.533 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.447 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.532 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.616 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.436 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.648 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.648 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.568 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.417 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -78.35 -32.18 48.95 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 69.7 mtm -80.76 -28.33 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.014 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -101.16 -61.11 1.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 57.68 167.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.94 0.775 . . . . 0.0 110.782 -168.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -143.41 147.28 39.33 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 121.901 -0.499 . . . . 0.0 110.039 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -21.65 51.7 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.216 2.611 . . . . 0.0 113.381 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.69 20.6 1.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -61.22 144.45 53.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.446 0.641 . . . . 0.0 110.98 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -138.92 -163.43 1.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.9 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -49.53 111.28 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.84 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 74' ' ' ARG . 23.6 mmm-85 -99.21 143.08 25.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.339 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.18 90.38 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.295 1.997 . . . . 0.0 111.657 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -91.81 151.36 20.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.648 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.546 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -161.65 116.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.439 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.546 ' HG2' ' O ' ' A' ' 77' ' ' ARG . 4.8 ptmm? 66.91 158.64 0.13 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.68 1.192 . . . . 0.0 112.169 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.438 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 4.9 p -80.58 173.77 12.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.833 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.09 -48.72 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.553 176.327 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 121.199 0.523 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -101.02 100.76 11.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.159 0.504 . . . . 0.0 110.881 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -135.96 156.54 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.209 172.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 t -69.56 148.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.928 0.394 . . . . 0.0 111.181 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.46 132.95 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -110.11 147.18 35.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.29 143.15 38.76 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.095 2.53 . . . . 0.0 111.327 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.493 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.463 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.437 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.681 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 9' ' ' ASN . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.495 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.468 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.681 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.586 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.586 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.559 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.408 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.678 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.472 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.53 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.53 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.675 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.704 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.599 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.675 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.704 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.578 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.606 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.606 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 16.5 ptp -82.67 -18.27 41.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.966 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -82.46 3.34 28.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.681 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.8 tm-20 -114.6 149.1 37.1 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 32.1 m170 75.13 144.42 0.1 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 123.534 0.734 . . . . 0.0 110.89 -171.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 4.4 Cg_exo -75.16 137.29 21.18 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 111.851 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -76.15 -22.85 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.4 t80 72.95 153.09 0.13 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.592 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -168.33 -173.67 2.05 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.708 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -65.51 110.05 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.072 0.939 . . . . 0.0 111.061 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -83.83 164.97 42.04 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 113.911 -1.495 . . . . 0.0 111.117 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.18 -164.62 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.732 2.288 . . . . 0.0 110.312 166.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.28 -46.24 89.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.172 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.814 ' HG3' ' H ' ' A' ' 78' ' ' LYS . 2.7 tpt180 54.73 -163.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.504 0.322 . . . . 0.0 110.251 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.814 ' H ' ' HG3' ' A' ' 77' ' ' ARG . 73.8 mmtt -100.4 33.55 2.66 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.103 -0.373 . . . . 0.0 110.706 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.7 p 66.43 -37.18 0.27 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.981 1.312 . . . . 0.0 113.247 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.408 ' H ' ' C ' ' A' ' 78' ' ' LYS . 34.0 mmtp -79.17 93.86 5.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.134 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.777 0.322 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.69 129.43 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.407 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -122.43 162.3 21.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.15 144.88 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.036 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -117.72 97.09 5.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.368 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -111.23 152.52 43.86 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.138 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.78 139.62 91.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.863 2.376 . . . . 0.0 111.798 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.438 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.535 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG13 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.47 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.437 ' HA ' HD21 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.535 ' HB3' HD23 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.489 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' O ' HD11 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.637 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.891 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.891 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.584 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.543 ' O ' HG13 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.435 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.423 ' HB2' HG23 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.479 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.552 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 51.3 t-80 -81.2 -22.16 39.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.552 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 14.5 ptm -82.96 -16.17 48.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.892 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.01 -9.93 59.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 109.53 174.647 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.52 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 6.0 mm-40 -76.43 -163.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.921 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -63.02 143.62 97.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.067 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.49 170.04 21.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.786 2.324 . . . . 0.0 113.594 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.26 23.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.574 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -74.97 98.23 3.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.548 . . . . 0.0 110.739 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.737 ' HG2' ' H ' ' A' ' 73' ' ' TYR . 33.1 ttmt -131.97 -162.91 1.27 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.737 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 79.0 m-85 -50.7 110.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.422 0.629 . . . . 0.0 111.312 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -115.75 144.27 32.3 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.747 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.79 115.71 3.56 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.625 2.217 . . . . 0.0 112.855 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -81.77 169.18 17.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -127.61 179.65 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.276 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -80.73 116.5 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.35 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.8 p -89.08 -175.63 4.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.892 ' HA ' ' HE2' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.72 70.65 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.502 0.668 . . . . 0.0 109.521 175.699 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.504 -178.23 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.965 0.412 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -128.82 149.66 50.64 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.474 ' O ' HG21 ' A' ' 4' ' ' VAL . 74.3 mtm180 -96.43 167.28 11.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.099 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.474 HG21 ' O ' ' A' ' 3' ' ' ARG . 4.5 m 54.42 -175.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.693 1.197 . . . . 0.0 112.261 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -92.95 98.55 11.43 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.455 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 19.0 mmm180 -82.99 142.28 44.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.473 -174.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 17.9 Cg_endo -94.73 129.44 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.821 3.014 . . . . 0.0 111.529 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.63 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' C ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.602 ' HA ' ' CG2' ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.63 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.602 ' CG2' ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.415 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD12 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.567 ' HA ' ' HE3' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.664 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.508 HD12 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.508 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.508 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.408 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.471 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HB2' HG13 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.529 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.585 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.644 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.43 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 44.6 t-80 -81.52 -22.81 37.68 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.585 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 14.3 ptt? -80.51 -16.97 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.564 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 2.7 pptp? -80.57 -9.75 59.77 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 64' ' ' HIS . 35.6 tt0 -92.13 138.95 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.264 175.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -121.79 78.54 39.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.736 -172.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -92.4 -9.78 2.34 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.862 2.375 . . . . 0.0 112.46 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -99.6 7.13 45.5 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.476 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 59.04 60.41 2.44 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.423 0.452 . . . . 0.0 111.026 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 75.07 -64.29 0.39 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.857 0.863 . . . . 0.0 111.992 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -70.24 112.23 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.944 0.878 . . . . 0.0 111.304 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.1 mtm180 -105.97 144.63 29.3 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.692 176.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.452 ' C ' ' H ' ' A' ' 77' ' ' ARG . 45.9 Cg_exo -57.18 -34.52 97.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.826 2.35 . . . . 0.0 112.492 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 90.7 mtt180 71.18 -36.29 0.36 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.334 0.654 . . . . 0.0 112.37 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' H ' ' C ' ' A' ' 75' ' ' PRO . 17.2 ptt180 -104.09 121.89 44.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.731 ' HG3' HG23 ' A' ' 79' ' ' THR . 21.6 pttp -95.33 -15.44 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 163.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.731 HG23 ' HG3' ' A' ' 78' ' ' LYS . 4.4 t -178.62 143.35 0.25 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.212 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -34.83 67.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.429 0.633 . . . . 0.0 109.373 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.221 -0.895 . . . . 0.0 109.562 174.753 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.27 179.24 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.538 173.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -138.14 164.28 29.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.741 176.354 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -87.81 147.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.504 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 8.4 mptt -112.07 98.02 7.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -110.48 144.07 29.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.717 0.294 . . . . 0.0 111.582 -176.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -76.91 128.89 10.29 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 111.185 173.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' O ' HG21 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.436 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.628 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.461 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.665 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.572 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.665 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.458 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.421 HD22 ' HB2' ' A' ' 22' ' ' MET . 0.3 OUTLIER -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.646 ' O ' ' HD3' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.405 ' HE3' ' SD ' ' A' ' 22' ' ' MET . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.429 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.521 HG22 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.501 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.628 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.436 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.566 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.553 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.601 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.45 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.543 ' O ' ' HG2' ' A' ' 65' ' ' MET . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -80.48 -19.16 46.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.543 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 96.0 mmm -72.54 -39.53 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 176.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 67' ' ' GLU . 15.1 ptmt -86.32 -28.78 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.737 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.449 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp10 60.17 -159.77 0.3 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.155 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.432 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 50.0 p-80 -112.21 85.16 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.81 -3.99 3.4 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.639 2.226 . . . . 0.0 110.598 167.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' ' 72' ' ' LYS . 2.5 m-20 -68.31 -33.41 74.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.38 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 p90 45.15 33.99 1.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.168 0.917 . . . . 0.0 112.31 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.459 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 25.9 pttm -115.87 17.67 15.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.242 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.07 109.99 22.11 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 110.064 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.37 166.01 44.47 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.566 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.23 165.21 20.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.368 2.712 . . . . 0.0 114.64 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' HD3' ' C ' ' A' ' 76' ' ' ARG . 2.1 tmt_? 177.19 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -133.37 119.09 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.608 -1.178 . . . . 0.0 107.838 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -71.33 156.8 39.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.398 0.618 . . . . 0.0 112.132 -172.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -142.26 147.51 36.56 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.936 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.591 ' HD2' HG21 ' A' ' 81' ' ' THR . 5.0 tmmm? -89.29 -51.99 5.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.591 HG21 ' HD2' ' A' ' 80' ' ' LYS . 5.6 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.657 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.56 104.16 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 3' ' ' ARG . 54.2 mtt-85 -82.73 121.21 26.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.549 HG12 HD22 ' A' ' 60' ' ' LEU . 18.3 t -142.83 148.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.998 0.427 . . . . 0.0 110.578 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -112.44 165.63 12.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 171.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 151.51 48.36 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 117.587 0.176 . . . . 0.0 111.422 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.79 134.13 13.78 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.371 2.714 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.524 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PHE . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.459 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.454 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' O ' ' HB2' ' A' ' 22' ' ' MET . 56.6 tp60 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.486 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 29' ' ' MET . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.408 ' HA ' HD11 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.408 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.709 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.454 HD23 ' HA ' ' A' ' 15' ' ' SER . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.709 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.524 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.456 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.435 ' HD3' ' C ' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.525 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.559 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.65 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.65 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.549 HD22 HG12 ' A' ' 4' ' ' VAL . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -79.7 -28.57 40.64 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.481 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptp -76.71 -24.31 53.12 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.197 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 95.0 mttt -76.64 -2.08 30.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.34 -22.58 63.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.4 0.619 . . . . 0.0 110.3 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -140.49 165.25 31.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.238 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.93 160.02 13.33 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.739 2.292 . . . . 0.0 112.118 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -15.45 60.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 66.52 -166.02 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.175 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.76 175.97 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.53 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -53.59 112.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.872 0.844 . . . . 0.0 111.892 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 18.1 ptt180 -114.42 159.11 38.03 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.202 171.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.0 97.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.392 2.061 . . . . 0.0 111.972 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.93 -20.4 29.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.559 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -152.42 149.33 28.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.127 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.494 ' O ' HG21 ' A' ' 79' ' ' THR . 63.8 tttp -105.43 -42.94 5.09 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.494 HG21 ' O ' ' A' ' 78' ' ' LYS . 3.9 t 49.46 -164.67 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.129 0.893 . . . . 0.0 111.492 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.628 ' HB3' ' HZ1' ' A' ' 80' ' ' LYS . 9.9 mtpm? -62.21 -54.62 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.367 -0.208 . . . . 0.0 111.47 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.249 1.075 0 O-C-N 123.968 0.793 . . . . 0.0 110.529 -174.606 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -160.68 160.8 31.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.59 143.05 47.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.692 HG23 ' HD1' ' A' ' 64' ' ' HIS . 27.5 m -82.31 146.66 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.03 0.443 . . . . 0.0 110.777 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.49 177.68 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.294 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.3 ptt180 -48.32 149.23 2.81 Favored Pre-proline 0 CA--C 1.535 0.394 0 O-C-N 123.663 0.602 . . . . 0.0 111.774 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.627 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo -51.04 128.04 23.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.273 2.649 . . . . 0.0 112.34 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.4 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.474 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.481 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.4 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.456 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.594 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.473 ' HA ' HD21 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.654 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' HG23 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.654 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.566 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.48 ' O ' HD11 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.76 ' HB3' ' HZ3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.678 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.594 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.678 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.481 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.568 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.452 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.568 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.445 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.503 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.503 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.627 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.607 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.692 ' HD1' HG23 ' A' ' 4' ' ' VAL . 5.9 t60 -82.64 -26.56 32.07 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.514 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 54.1 mtm -76.1 -21.77 56.31 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 14.1 ptmm? -58.6 -29.73 66.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.723 0.297 . . . . 0.0 111.313 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.93 -44.95 10.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.545 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 p80 43.55 68.27 3.12 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 124.005 0.922 . . . . 0.0 113.292 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.51 -46.25 2.04 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.122 1.881 . . . . 0.0 111.77 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -70.14 -33.79 72.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 61.34 93.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.139 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 ptpp? -127.15 -164.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.727 179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -46.25 111.69 0.4 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.082 0.863 . . . . 0.0 111.906 -175.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -64.28 143.31 98.41 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.36 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.29 156.67 34.13 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.583 2.189 . . . . 0.0 111.261 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.574 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 8.8 ttp180 -66.05 -58.36 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.851 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.574 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 20.4 mmm180 -127.26 -72.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.57 0.224 . . . . 0.0 110.632 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.6 tptt 68.22 113.95 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.115 0.885 . . . . 0.0 111.022 -173.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.07 153.03 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.309 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -166.77 163.38 16.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.631 -1.176 . . . . 0.0 111.694 -178.07 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.41 ' H3 ' ' C ' ' A' ' 81' ' ' THR . 45.9 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -141.53 158.77 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.356 0.598 . . . . 0.0 112.072 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.04 -164.79 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.586 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -68.18 127.57 30.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 8.1 mptt -91.9 94.66 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.436 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -113.74 157.42 41.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.074 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo -75.68 142.87 26.34 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 111.838 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' O ' HG22 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.528 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.459 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.487 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.523 HG11 ' O ' ' A' ' 53' ' ' PHE . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.57 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.45 ' HA ' HD22 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.487 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.419 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.56 ' OE1' ' HD2' ' A' ' 21' ' ' LYS . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.482 ' HD3' ' O ' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.56 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.422 ' CD ' ' HZ1' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.406 HG21 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.613 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.575 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.613 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.487 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.542 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -79.61 -41.61 26.7 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.542 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 20.3 ptp -69.74 -23.66 63.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.916 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.501 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 72.2 mmtt -69.53 -16.99 63.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.757 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.1 tp10 60.91 -163.02 0.26 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.05 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 74.7 m80 75.11 162.25 0.15 Allowed Pre-proline 0 C--O 1.234 0.275 0 C-N-CA 122.812 0.445 . . . . 0.0 110.342 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.544 ' HB2' ' HE2' ' A' ' 73' ' ' TYR . 91.0 Cg_endo -78.04 -164.88 0.3 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.467 2.111 . . . . 0.0 112.121 175.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -68.18 -22.97 64.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.897 0.38 . . . . 0.0 111.096 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 t80 60.94 34.38 19.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.83 0.824 . . . . 0.0 110.89 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 14.5 ptpt -172.34 22.25 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.475 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.544 ' HE2' ' HB2' ' A' ' 69' ' ' PRO . 23.9 p90 -84.03 131.98 34.77 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.907 -1.042 . . . . 0.0 108.643 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.55 143.53 93.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.403 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.15 -34.0 94.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.232 . . . . 0.0 113.072 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -128.14 -44.2 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.41 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 81.79 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.08 -37.74 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 163.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m 69.62 0.54 3.01 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.756 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 60.95 81.08 0.2 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.473 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.41 ' C ' ' H3 ' ' A' ' 1' ' ' SER . 6.0 t . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.343 0.116 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.16 79.12 0.2 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 111.163 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -63.72 152.84 38.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.7 t -74.19 144.59 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' N ' ' HD2' ' A' ' 5' ' ' LYS . 8.4 mptt -106.66 97.76 7.51 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.4 ptp180 -110.78 143.54 28.44 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.95 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 5.8 Cg_exo -79.78 143.43 16.6 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.29 2.66 . . . . 0.0 111.889 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.489 ' O ' HG22 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.592 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.449 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG22 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.668 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.668 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.5 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.649 ' SD ' ' HE1' ' A' ' 29' ' ' MET . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.594 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.649 ' HE1' ' SD ' ' A' ' 22' ' ' MET . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.555 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.498 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' HA ' ' HG3' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.592 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.558 ' HG3' ' HA ' ' A' ' 47' ' ' GLU . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.533 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.592 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.592 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.471 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.41 ' HB3' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.545 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -74.42 -36.0 63.41 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 71.0 mtm -75.35 -23.4 57.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.083 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.71 -58.55 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.41 ' C ' ' HD3' ' A' ' 69' ' ' PRO . 6.9 tt0 51.03 -161.69 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.154 0.909 . . . . 0.0 111.357 169.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.405 ' N ' ' HD3' ' A' ' 69' ' ' PRO . 0.3 OUTLIER -132.87 64.25 70.35 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.574 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 4.7 Cg_exo -74.7 -13.33 22.15 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.193 2.596 . . . . 0.0 111.474 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.66 -23.41 64.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.264 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -138.53 82.64 1.92 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.323 0.582 . . . . 0.0 111.009 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.493 ' HD3' ' HA ' ' A' ' 69' ' ' PRO . 19.6 ptmt -169.51 20.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.852 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -100.1 112.43 24.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.294 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -97.53 160.68 28.16 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.13 174.16 2.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.954 2.436 . . . . 0.0 112.555 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -64.99 -25.0 67.68 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -75.57 81.99 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.613 . . . . 0.0 109.615 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.08 81.74 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.304 -176.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 m 64.23 100.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.602 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -118.22 137.62 52.89 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.673 -177.797 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -151.72 153.5 34.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 111.121 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -135.47 148.28 49.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.539 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -75.57 106.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.17 0.51 . . . . 0.0 110.564 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -63.68 127.53 31.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.053 179.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -58.7 158.38 16.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.236 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.84 100.91 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.161 1.907 . . . . 0.0 109.896 166.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.604 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.613 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.627 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.613 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.524 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.525 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.506 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.525 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.429 HD22 ' HG2' ' A' ' 22' ' ' MET . 0.4 OUTLIER -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.435 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG22 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.627 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.52 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.43 ' HA ' HD21 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.52 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.563 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.656 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.574 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.563 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.604 ' HB3' ' HB3' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.574 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.538 ' HA ' ' HE3' ' A' ' 65' ' ' MET . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -80.61 -45.54 17.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.538 ' HE3' ' HA ' ' A' ' 62' ' ' ALA . 27.5 ptt? -75.08 -15.5 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.457 -176.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -59.75 -48.43 81.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.15 -164.41 0.16 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.925 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -136.08 155.04 77.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.38 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.2 176.73 5.96 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.346 2.031 . . . . 0.0 112.107 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -80.74 8.27 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.773 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -62.72 100.09 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.993 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 65.69 17.72 10.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.654 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.6 118.09 9.02 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.2 mmt180 -94.34 144.53 28.15 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 29.6 Cg_exo -61.6 101.57 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.553 2.169 . . . . 0.0 112.089 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -66.31 -59.33 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -166.7 86.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.544 174.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -166.74 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 m -72.11 80.43 0.95 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.331 0.586 . . . . 0.0 110.435 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -149.27 91.32 1.82 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.036 -176.308 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.795 0.331 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' HB2' ' NE ' ' A' ' 20' ' ' ARG . 15.4 t70 -73.42 156.14 38.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -72.57 122.85 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.81 148.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.478 0.656 . . . . 0.0 112.342 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -130.44 165.43 22.63 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.7 mtm180 -67.66 151.07 97.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.031 -177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -39.3 138.25 0.74 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.488 3.458 . . . . 0.0 114.484 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.598 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.421 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.504 HG13 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.429 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.493 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.493 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.415 ' HE1' HD12 ' A' ' 34' ' ' ILE . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HB3' ' HE3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.566 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.415 HD12 ' HE1' ' A' ' 22' ' ' MET . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.566 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.607 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.462 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.54 HD12 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.651 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.653 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.653 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.529 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.499 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' O ' ' HG3' ' A' ' 65' ' ' MET . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.434 ' HA ' ' HE3' ' A' ' 65' ' ' MET . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -79.73 -24.13 41.83 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.445 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.8 mtm -75.86 -31.44 59.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.912 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -84.41 -30.79 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 68.69 173.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.825 173.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -119.79 82.86 27.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.59 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.14 -18.35 39.98 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.87 2.38 . . . . 0.0 112.966 -176.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -82.4 -24.96 34.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.715 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.87 129.23 50.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.181 0.515 . . . . 0.0 111.809 -175.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -90.67 -164.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.971 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -73.94 108.99 7.09 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.418 0.628 . . . . 0.0 110.484 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 74' ' ' ARG . 12.1 mmt85 -86.71 146.27 40.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.882 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 52.8 Cg_exo -55.39 98.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.106 2.537 . . . . 0.0 113.34 -176.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.88 -67.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.053 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -139.22 12.88 2.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.52 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 94.87 5.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.241 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 p -119.61 -69.65 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.131 0.491 . . . . 0.0 109.999 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.488 ' O ' ' HB ' ' A' ' 81' ' ' THR . 23.0 ttpp -61.03 -44.1 97.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.115 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.488 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 95.1 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.732 -168.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.702 0.286 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.38 -1.56 56.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.693 0.283 . . . . 0.0 111.525 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -98.27 129.75 44.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.758 0.313 . . . . 0.0 110.282 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.38 176.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.736 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -115.37 140.23 49.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.854 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 6' ' ' ARG . 55.5 mtt-85 -87.56 149.76 47.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.85 121.66 9.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.81 2.34 . . . . 0.0 111.014 171.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.569 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.524 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.569 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 9' ' ' ASN . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.629 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.529 ' N ' HD21 ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.652 ' HE3' ' HE2' ' A' ' 29' ' ' MET . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.652 ' HE2' ' HE3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.458 ' HA ' HD13 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.458 HD13 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.5 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.629 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.704 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.704 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.561 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.561 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB3' ' HB2' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.525 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.463 ' HB3' HG22 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.525 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.524 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.575 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.635 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 10.4 t60 -83.22 -22.01 33.26 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.575 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 22.2 ptm -78.67 -16.94 56.7 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.013 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.25 4.65 14.39 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.205 0.526 . . . . 0.0 111.22 173.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.635 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -71.1 -164.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.837 171.356 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 72.9 m-70 -88.21 143.31 32.59 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 173.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 23.6 Cg_exo -63.82 150.81 87.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.557 -177.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -91.07 22.92 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.963 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -65.7 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.188 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -127.81 21.13 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.081 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -98.64 113.54 25.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.36 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 19.9 ptt180 -72.63 148.38 90.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.346 174.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -68.74 122.2 9.13 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.797 2.331 . . . . 0.0 112.261 179.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -69.84 -45.17 68.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -104.99 -78.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 79' ' ' THR . 21.9 pttp -168.07 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.452 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 3.6 p -156.41 177.04 11.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.35 -1.296 . . . . 0.0 107.626 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.559 ' HD3' ' H ' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -88.05 3.81 47.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.652 0.739 . . . . 0.0 109.789 172.679 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.216 176.338 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.772 0.32 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.0 170.25 15.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.486 -175.247 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -74.55 124.13 26.06 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 170.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 m -67.01 124.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.369 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -69.23 96.64 0.85 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 167.4 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -80.04 144.95 60.03 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -162.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.09 150.15 29.23 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.274 1.983 . . . . 0.0 109.141 160.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.537 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.537 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 9' ' ' ASN . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.528 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.5 ' HA ' HD22 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.594 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.675 ' HG2' HD11 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.711 ' HB3' ' HZ1' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.618 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 3.8 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.401 ' HG2' HD12 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.675 HD11 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.63 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.545 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.504 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.504 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.512 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.784 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.784 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.565 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.641 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' HB2' ' HE ' ' A' ' 51' ' ' ARG . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.547 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.48 ' HB3' HG23 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.513 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.416 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.529 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . 34.8 m-70 -79.97 -21.02 44.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.9 ptm -86.65 -21.23 26.86 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.855 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.74 -21.0 22.89 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.625 -179.043 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -72.59 129.27 37.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 62.5 m-70 -60.48 147.11 83.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.388 -172.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.3 Cg_endo -85.32 -174.53 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.829 3.019 . . . . 0.0 112.746 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.629 ' OD2' ' HG2' ' A' ' 72' ' ' LYS . 17.8 t70 -114.77 -33.17 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.085 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.2 p90 44.54 48.16 8.45 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.629 ' HG2' ' OD2' ' A' ' 70' ' ' ASP . 7.4 ptpp? -110.95 3.43 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.372 0.606 . . . . 0.0 109.554 169.127 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -86.04 114.95 23.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.519 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 74' ' ' ARG . 65.5 mtt85 -62.55 145.22 95.23 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.39 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.63 111.79 2.68 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.106 1.87 . . . . 0.0 110.182 171.048 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -70.73 113.43 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 67.19 163.81 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.798 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -79.35 -42.63 25.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -149.01 151.32 34.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.468 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -87.41 144.64 26.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.28 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.248 0.981 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.472 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo . . . . . 0 N--CA 1.46 -0.455 0 CA-C-O 120.818 0.258 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.4 p-10 -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.695 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.504 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.598 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' PRO . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.559 ' HB3' HD11 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.695 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.62 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 1.114 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 1.114 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.669 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 25.3 Cg_exo . . . . . 0 CA--C 1.531 0.342 0 CA-C-O 120.976 0.323 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 25.1 p30 -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.729 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.456 -0.679 0 N-CA-C 110.67 -0.55 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.662 HH12 ' HB2' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.664 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' HD13 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 49' ' ' GLU . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 N--CA 1.456 -0.704 0 N-CA-C 109.379 -1.047 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG11 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.664 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.6 m80 . . . . . 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 120.847 0.27 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.7 p30 -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.643 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.502 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.502 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.583 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' ALA . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 49' ' ' GLU . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.699 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.699 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.643 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG22 ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.464 -0.26 0 N-CA-C 110.762 -0.515 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.891 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.891 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.603 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.454 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 121.082 0.367 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.741 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.741 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.532 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 . . . . . 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 CA-C-O 121.217 0.424 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.532 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.234 0.313 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.695 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.471 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.601 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.601 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 32.0 p-10 -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.557 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.685 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.617 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.685 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.713 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.233 0.238 0 CA-C-O 121.085 0.369 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.463 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.3 p30 -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.555 ' HB3' HD21 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.538 ' O ' HG11 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.451 -0.991 0 CA-C-O 120.946 0.311 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' ' 8' ' ' MET . 21.3 p30 -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.636 ' HA ' HD11 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' MET . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.687 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.677 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.572 ' HE3' ' HG3' ' A' ' 18' ' ' GLN . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.589 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.663 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 61' ' ' ARG . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 C--O 1.235 0.36 0 CA-C-O 121.28 0.45 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.419 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 57' ' ' ALA . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' HD11 ' A' ' 38' ' ' LEU . 8.3 tp-100 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.719 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.615 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo . . . . . 0 C--O 1.233 0.26 0 CA-C-O 121.107 0.378 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.431 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.474 ' HA ' HD23 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.655 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.687 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo . . . . . 0 CA--C 1.531 0.352 0 CA-C-O 121.034 0.347 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.46 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 57' ' ' ALA . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' HD11 ' A' ' 38' ' ' LEU . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.457 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 4.5 p30 -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 18' ' ' GLN . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.419 HG23 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.623 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.623 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 . . . . . 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 C--O 1.234 0.303 0 CA-C-O 120.713 0.214 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.685 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' HD23 ' A' ' 38' ' ' LEU . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' HG21 ' A' ' 34' ' ' ILE . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.612 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.791 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 N--CA 1.46 -0.491 0 N-CA-C 109.896 -0.848 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.536 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 10.6 p30 -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG21 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HA ' HD22 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.57 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.57 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 C--O 1.234 0.282 0 N-CA-C 114.484 0.917 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.476 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.665 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 60' ' ' LEU . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--O 1.233 0.253 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.577 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 13' ' ' VAL . 23.0 p-10 -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.577 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.651 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' HE2' ' A' ' 28' ' ' LYS . 30.8 p-10 -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE2' ' ND2' ' A' ' 26' ' ' ASN . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.416 ' SD ' ' HG3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.651 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 11' ' ' PHE . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.711 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.4 t60 . . . . . 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.45 -1.086 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 21.5 p30 -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.554 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 57' ' ' ALA . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.541 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD23 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.734 ' HG2' HD12 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 13.9 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.423 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.734 HD12 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.796 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 46' ' ' SER . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -127.58 13.74 7.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.236 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.31 122.61 12.95 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -79.68 164.91 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.724 -172.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -132.45 105.48 7.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.502 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -109.72 155.09 42.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -176.733 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo -78.15 139.92 17.34 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.922 2.414 . . . . 0.0 111.685 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.4 p-10 -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.695 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.504 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.598 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' PRO . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.559 ' HB3' HD11 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.695 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.62 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 1.114 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 1.114 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.669 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 65' ' ' MET . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -76.79 -35.45 57.63 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -79.38 -15.06 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -68.33 -13.28 62.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.073 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -98.58 167.67 10.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -55.51 143.75 56.4 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-O 120.503 0.192 . . . . 0.0 110.524 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 -177.78 3.07 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.529 2.153 . . . . 0.0 112.124 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 10.5 p-10 -84.75 24.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.83 120.3 6.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.199 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 87.7 mttt -103.7 -164.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.283 0.563 . . . . 0.0 112.169 -170.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -58.47 116.92 3.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.017 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' HD3' ' HG2' ' A' ' 78' ' ' LYS . 16.9 ptt180 -45.73 143.86 2.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.715 175.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 25.0 Cg_exo -63.74 -47.17 7.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.728 2.285 . . . . 0.0 111.399 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.25 -51.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.55 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -131.38 156.72 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.804 ' HE3' ' HA ' ' A' ' 81' ' ' THR . 63.1 pttt -135.88 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 110.185 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -91.49 32.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.593 0.711 . . . . 0.0 110.643 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -153.05 52.49 0.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.804 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 8.0 t . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.098 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.98 0.419 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' CG ' ' HE2' ' A' ' 68' ' ' HIS . 12.2 t70 -84.47 94.33 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -175.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -135.99 166.47 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.014 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 27.5 m -96.02 169.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.616 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -132.76 173.85 10.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 -177.723 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 -109.81 150.87 41.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 25.3 Cg_exo -63.63 124.39 13.61 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.847 2.365 . . . . 0.0 111.963 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.729 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.9 m-70 -82.26 -19.08 40.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.1 ptm -72.78 -27.44 61.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.132 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -83.51 -57.48 3.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.82 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 19.9 tp10 -120.38 120.72 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 11.1 p-80 -151.39 143.13 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -87.33 -165.2 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.397 2.731 . . . . 0.0 112.086 175.592 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.75 17.45 3.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.77 113.82 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 34.9 pttt -103.43 5.49 37.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.92 -169.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.28 117.27 21.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -119.28 156.84 52.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.95 136.11 40.17 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.736 1.624 . . . . 0.0 110.409 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 ttm-85 -74.0 -85.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.989 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -154.55 127.6 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 0.0 111.33 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -111.4 74.84 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 165.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.1 m -92.7 83.87 4.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -85.07 125.48 32.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.635 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.439 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.27 92.68 0.05 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.091 0.472 . . . . 0.0 112.266 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 3' ' ' ARG . 17.3 mmm180 -111.24 124.34 52.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.49 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.62 116.73 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.253 0.549 . . . . 0.0 111.314 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 64' ' ' HIS . 2.2 mptt -100.95 116.97 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.857 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 14.2 mmt180 -109.48 142.33 25.47 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.675 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 3.7 Cg_exo -80.89 101.97 1.34 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.071 2.514 . . . . 0.0 110.67 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.662 HH12 ' HB2' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.664 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' HD13 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 49' ' ' GLU . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 49.1 t-80 -82.78 -27.69 30.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.7 ttp -73.3 -21.72 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.365 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -78.1 -3.97 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.389 178.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 64' ' ' HIS . 45.9 mt-10 -87.97 165.11 15.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.308 -177.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 92.13 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.488 1.115 . . . . 0.0 113.613 -174.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.556 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 72.8 Cg_endo -71.6 -3.68 13.55 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.789 2.992 . . . . 0.0 113.714 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -84.19 23.99 1.0 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.753 0.311 . . . . 0.0 111.144 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 69' ' ' PRO . 13.7 p90 -68.15 169.4 10.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.924 0.392 . . . . 0.0 111.191 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 14.2 ptpt -76.84 0.01 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -171.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 27.3 m-85 -82.48 112.01 19.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 41.7 mtm180 -117.51 143.84 32.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.748 -170.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 3.7 Cg_exo -76.28 161.63 34.77 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.323 2.682 . . . . 0.0 110.932 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -102.26 139.51 37.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.799 0.333 . . . . 0.0 110.951 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -72.25 124.13 24.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.46 97.59 2.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.1 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 80' ' ' LYS . 3.2 m -68.36 168.28 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.191 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 79' ' ' THR . 9.6 tmtm? 70.65 75.63 0.2 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.99 0.9 . . . . 0.0 109.044 -176.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.1 m . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.81 178.06 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.348 0.594 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 6.9 p-10 -157.49 -154.35 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.661 -174.144 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.542 ' HD3' ' OD2' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.2 125.69 25.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 111.982 -173.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 m -124.43 -166.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.46 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 69.7 mmtt -67.92 131.72 46.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.249 0.547 . . . . 0.0 110.925 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.52 156.65 56.26 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.079 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.16 89.24 0.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.148 1.899 . . . . 0.0 109.379 164.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG11 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.664 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 13.6 m80 -79.36 -18.92 51.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.5 ptt? -78.24 -25.63 46.97 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 40.0 mtpt -73.8 -45.08 53.72 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.596 170.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 51.9 mt-10 -63.98 -62.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.7 p80 43.18 83.78 0.2 Allowed Pre-proline 0 N--CA 1.469 0.498 0 C-N-CA 123.876 0.87 . . . . 0.0 111.075 -168.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.12 163.88 21.42 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.158 2.572 . . . . 0.0 112.731 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.24 12.22 16.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.401 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -64.63 136.9 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -66.11 85.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -118.45 112.31 19.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 99.2 mtt180 -115.91 160.39 35.45 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 74' ' ' ARG . 1.1 Cg_endo -43.09 147.89 0.65 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.115 3.21 . . . . 0.0 113.642 -177.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -104.68 134.27 48.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.301 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -85.67 95.7 9.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt 63.52 -173.18 0.16 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.836 0.71 . . . . 0.0 110.148 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.5 m -151.87 -56.89 0.14 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.077 0.465 . . . . 0.0 109.875 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 119.77 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.847 178.584 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.86 115.84 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.925 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 13.0 ptp180 -136.02 125.14 24.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.539 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.57 147.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.911 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 5.7 mmpt? -149.1 157.45 43.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.683 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.59 152.25 91.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.111 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo -65.23 149.89 88.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.982 2.454 . . . . 0.0 111.556 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.457 ' O ' HG23 ' A' ' 13' ' ' VAL . 31.7 p30 -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.643 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.502 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.502 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.583 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 10.3 p-80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' ALA . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 49' ' ' GLU . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.699 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.699 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.643 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG22 ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -79.54 -26.4 41.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.1 ttm -86.42 -52.46 5.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -24.3 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -117.0 125.87 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.061 0.457 . . . . 0.0 111.134 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.87 85.66 1.82 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.881 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.11 -58.39 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.339 2.026 . . . . 0.0 112.609 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.26 -22.49 9.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -171.9 169.05 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.762 -173.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -106.48 167.43 9.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.69 111.03 0.41 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.609 0.568 . . . . 0.0 112.041 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' HA ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ptm180 -75.2 155.12 86.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.792 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 140.23 29.97 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.343 2.028 . . . . 0.0 112.493 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -83.9 -26.71 29.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.266 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 68.08 -179.79 0.23 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.595 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 59.9 mmtt 62.69 11.08 4.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.172 0.51 . . . . 0.0 111.095 -172.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 m -95.06 91.22 6.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -175.9 -44.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.574 -179.57 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.59 106.59 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.894 0.746 . . . . 0.0 110.128 -173.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' H ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -87.27 128.38 35.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.733 -174.709 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.561 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 21.4 t 66.38 149.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.81 173.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -146.43 97.62 2.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.797 177.494 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -110.32 158.88 34.05 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 100.78 0.39 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.178 1.919 . . . . 0.0 110.762 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.891 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.891 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.603 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.454 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.99 -43.42 24.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.34 -26.78 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -76.36 -15.47 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.3 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 7.2 mm-40 61.2 -163.07 0.26 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 70' ' ' ASP . 30.0 t60 66.88 82.33 0.2 Allowed Pre-proline 0 N--CA 1.469 0.494 0 CA-C-O 121.239 0.542 . . . . 0.0 110.72 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 31.3 Cg_exo -63.26 -16.88 57.29 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.371 2.714 . . . . 0.0 113.564 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 2.9 t70 -67.11 -16.47 64.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.897 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -126.85 45.04 2.77 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.996 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 69' ' ' PRO . 52.1 pttt -164.54 23.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.868 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -115.93 113.72 23.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.902 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -117.24 144.76 34.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 16.9 Cg_exo -67.13 94.56 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.628 2.218 . . . . 0.0 113.576 -174.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -83.58 -42.88 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 167.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -174.07 138.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.246 -1.343 . . . . 0.0 107.661 171.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -72.93 91.29 1.53 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.459 0.647 . . . . 0.0 110.897 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -96.76 103.23 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.342 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -64.09 -38.8 92.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.361 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 64.1 94.51 0.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.673 0.608 . . . . 0.0 111.168 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -83.91 157.69 21.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.797 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m 52.34 105.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.959 1.304 . . . . 0.0 112.923 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 69.4 mmtt -83.88 116.73 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.31 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -109.84 166.12 11.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.062 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.89 146.36 21.64 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.628 2.219 . . . . 0.0 112.174 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.741 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.741 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.532 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 65' ' ' MET . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -79.13 -27.82 42.86 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.4 mtm -71.26 -20.11 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.335 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -75.95 -1.15 24.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.67 110.34 22.62 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.39 77.6 3.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -172.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.5 -50.73 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.642 2.228 . . . . 0.0 112.619 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HG3' ' A' ' 72' ' ' LYS . 1.1 p30 -94.57 -16.35 23.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.107 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' ' HE1' ' A' ' 73' ' ' TYR . 98.5 m-85 62.38 56.37 2.13 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.349 0.405 . . . . 0.0 111.902 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.561 ' HG3' ' OD1' ' A' ' 70' ' ' ASP . 37.3 mtmm -80.33 13.03 2.58 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.333 177.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' HE1' ' HD1' ' A' ' 71' ' ' TYR . 11.1 p90 -106.14 119.76 40.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 66.9 mtp180 -116.92 142.38 29.74 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 168.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 15.2 Cg_exo -70.1 -36.61 9.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.518 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 65.22 113.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.398 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -79.62 87.28 5.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -74.6 114.48 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.69 171.72 10.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.834 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -83.26 105.11 13.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.25 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.46 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.818 0.342 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -131.53 105.15 7.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.674 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -90.56 179.77 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.6 104.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.836 0.827 . . . . 0.0 111.568 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -108.16 98.08 7.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.094 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -104.54 145.62 31.03 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.465 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.46 172.44 3.45 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.672 2.248 . . . . 0.0 111.843 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.532 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 37.0 t60 -78.35 -32.18 48.95 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 69.7 mtm -80.76 -28.33 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.014 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -101.16 -61.11 1.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 57.68 167.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.94 0.775 . . . . 0.0 110.782 -168.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -143.41 147.28 39.33 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 121.901 -0.499 . . . . 0.0 110.039 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -21.65 51.7 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.216 2.611 . . . . 0.0 113.381 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.69 20.6 1.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -61.22 144.45 53.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.446 0.641 . . . . 0.0 110.98 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -138.92 -163.43 1.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.9 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -49.53 111.28 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.84 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 74' ' ' ARG . 23.6 mmm-85 -99.21 143.08 25.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.339 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.18 90.38 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.295 1.997 . . . . 0.0 111.657 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -91.81 151.36 20.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.648 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -161.65 116.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.439 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 77' ' ' ARG . 4.8 ptmm? 66.91 158.64 0.13 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.68 1.192 . . . . 0.0 112.169 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 4.9 p -80.58 173.77 12.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.833 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.09 -48.72 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.553 176.327 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 121.199 0.523 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -101.02 100.76 11.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.159 0.504 . . . . 0.0 110.881 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -135.96 156.54 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.209 172.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 t -69.56 148.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.928 0.394 . . . . 0.0 111.181 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.46 132.95 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -110.11 147.18 35.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.29 143.15 38.76 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.095 2.53 . . . . 0.0 111.327 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.695 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.471 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.601 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 32.0 p-10 -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.557 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.685 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.617 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.685 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.713 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.619 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 16.5 ptp -82.67 -18.27 41.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.966 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -82.46 3.34 28.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.681 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.8 tm-20 -114.6 149.1 37.1 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 32.1 m170 75.13 144.42 0.1 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 123.534 0.734 . . . . 0.0 110.89 -171.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 4.4 Cg_exo -75.16 137.29 21.18 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 111.851 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -76.15 -22.85 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.4 t80 72.95 153.09 0.13 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.592 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -168.33 -173.67 2.05 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.708 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -65.51 110.05 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.072 0.939 . . . . 0.0 111.061 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -83.83 164.97 42.04 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 113.911 -1.495 . . . . 0.0 111.117 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.18 -164.62 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.732 2.288 . . . . 0.0 110.312 166.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.28 -46.24 89.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.172 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.814 ' HG3' ' H ' ' A' ' 78' ' ' LYS . 2.7 tpt180 54.73 -163.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.504 0.322 . . . . 0.0 110.251 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.814 ' H ' ' HG3' ' A' ' 77' ' ' ARG . 73.8 mmtt -100.4 33.55 2.66 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.103 -0.373 . . . . 0.0 110.706 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.7 p 66.43 -37.18 0.27 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.981 1.312 . . . . 0.0 113.247 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -79.17 93.86 5.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.134 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.777 0.322 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.69 129.43 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.407 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -122.43 162.3 21.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.15 144.88 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.036 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -117.72 97.09 5.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.368 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -111.23 152.52 43.86 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.138 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.78 139.62 91.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.863 2.376 . . . . 0.0 111.798 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.463 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' HG23 ' A' ' 13' ' ' VAL . 33.3 p30 -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.555 ' HB3' HD21 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.538 ' O ' HG11 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 51.3 t-80 -81.2 -22.16 39.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.565 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 14.5 ptm -82.96 -16.17 48.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.892 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.01 -9.93 59.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 109.53 174.647 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 6.0 mm-40 -76.43 -163.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.921 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -63.02 143.62 97.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.067 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.49 170.04 21.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.786 2.324 . . . . 0.0 113.594 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.26 23.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.574 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -74.97 98.23 3.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.548 . . . . 0.0 110.739 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.734 ' HG2' ' H ' ' A' ' 73' ' ' TYR . 33.1 ttmt -131.97 -162.91 1.27 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.734 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 79.0 m-85 -50.7 110.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.422 0.629 . . . . 0.0 111.312 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -115.75 144.27 32.3 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.747 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.79 115.71 3.56 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.625 2.217 . . . . 0.0 112.855 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -81.77 169.18 17.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -127.61 179.65 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.276 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -80.73 116.5 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.35 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.8 p -89.08 -175.63 4.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.909 ' HE2' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.72 70.65 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.502 0.668 . . . . 0.0 109.521 175.699 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.504 -178.23 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.965 0.412 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -128.82 149.66 50.64 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 4' ' ' VAL . 74.3 mtm180 -96.43 167.28 11.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.099 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 3' ' ' ARG . 4.5 m 54.42 -175.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.693 1.197 . . . . 0.0 112.261 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -92.95 98.55 11.43 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 19.0 mmm180 -82.99 142.28 44.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.473 -174.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 17.9 Cg_endo -94.73 129.44 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.821 3.014 . . . . 0.0 111.529 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.408 ' H ' ' HG2' ' A' ' 8' ' ' MET . 21.3 p30 -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.636 ' HA ' HD11 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' MET . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.687 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.661 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 31.2 t60 -81.52 -22.81 37.68 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 14.3 ptt? -80.51 -16.97 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.564 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 2.7 pptp? -80.57 -9.75 59.77 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 64' ' ' HIS . 35.6 tt0 -92.13 138.95 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.264 175.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -121.79 78.54 39.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.736 -172.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -92.4 -9.78 2.34 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.862 2.375 . . . . 0.0 112.46 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -99.6 7.13 45.5 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.476 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 59.04 60.41 2.44 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.423 0.452 . . . . 0.0 111.026 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 75.07 -64.29 0.39 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.857 0.863 . . . . 0.0 111.992 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -70.24 112.23 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.944 0.878 . . . . 0.0 111.304 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 87.1 mtm180 -105.97 144.63 29.3 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.692 176.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ARG . 45.9 Cg_exo -57.18 -34.52 97.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.826 2.35 . . . . 0.0 112.492 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 90.7 mtt180 71.18 -36.29 0.36 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.334 0.654 . . . . 0.0 112.37 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 75' ' ' PRO . 17.2 ptt180 -104.09 121.89 44.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.77 ' HG3' HG22 ' A' ' 79' ' ' THR . 21.6 pttp -95.33 -15.44 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 163.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.77 HG22 ' HG3' ' A' ' 78' ' ' LYS . 4.4 t -178.62 143.35 0.25 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.212 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -34.83 67.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.429 0.633 . . . . 0.0 109.373 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.221 -0.895 . . . . 0.0 109.562 174.753 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.27 179.24 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.538 173.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -138.14 164.28 29.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.741 176.354 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -87.81 147.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 8.4 mptt -112.07 98.02 7.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 14.9 ptm180 -110.48 144.07 29.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.717 0.294 . . . . 0.0 111.582 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 2.8 Cg_exo -76.91 128.89 10.29 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 111.185 173.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.677 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.572 ' HE3' ' HG3' ' A' ' 18' ' ' GLN . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.663 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 65' ' ' MET . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -80.48 -19.16 46.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 96.0 mmm -72.54 -39.53 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 176.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 67' ' ' GLU . 15.1 ptmt -86.32 -28.78 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.737 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp10 60.17 -159.77 0.3 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.155 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 50.0 p-80 -112.21 85.16 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.81 -3.99 3.4 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.639 2.226 . . . . 0.0 110.598 167.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB3' ' HG2' ' A' ' 72' ' ' LYS . 2.5 m-20 -68.31 -33.41 74.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.38 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 p90 45.15 33.99 1.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.168 0.917 . . . . 0.0 112.31 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 25.9 pttm -115.87 17.67 15.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.242 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.07 109.99 22.11 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 110.064 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.37 166.01 44.47 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.566 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.23 165.21 20.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.368 2.712 . . . . 0.0 114.64 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 2.1 tmt_? 177.19 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -133.37 119.09 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.608 -1.178 . . . . 0.0 107.838 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -71.33 156.8 39.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.398 0.618 . . . . 0.0 112.132 -172.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -142.26 147.51 36.56 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.936 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.606 ' HD2' HG23 ' A' ' 81' ' ' THR . 5.0 tmmm? -89.29 -51.99 5.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 80' ' ' LYS . 5.6 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.657 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.56 104.16 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 3' ' ' ARG . 54.2 mtt-85 -82.73 121.21 26.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.58 HG13 HD22 ' A' ' 60' ' ' LEU . 18.3 t -142.83 148.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.998 0.427 . . . . 0.0 110.578 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -112.44 165.63 12.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 171.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 151.51 48.36 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 117.587 0.176 . . . . 0.0 111.422 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.79 134.13 13.78 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.371 2.714 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.419 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 57' ' ' ALA . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' HD11 ' A' ' 38' ' ' LEU . 8.3 tp-100 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 59.6 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.719 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 HG13 ' A' ' 4' ' ' VAL . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -79.7 -28.57 40.64 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptp -76.71 -24.31 53.12 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.197 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 95.0 mttt -76.64 -2.08 30.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.34 -22.58 63.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.4 0.619 . . . . 0.0 110.3 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -140.49 165.25 31.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.238 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.93 160.02 13.33 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.739 2.292 . . . . 0.0 112.118 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -15.45 60.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 66.52 -166.02 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.175 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.76 175.97 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.53 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -53.59 112.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.872 0.844 . . . . 0.0 111.892 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 74' ' ' ARG . 18.1 ptt180 -114.42 159.11 38.03 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.202 171.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.0 97.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.392 2.061 . . . . 0.0 111.972 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.93 -20.4 29.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.559 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -152.42 149.33 28.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.127 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 79' ' ' THR . 63.8 tttp -105.43 -42.94 5.09 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LYS . 3.9 t 49.46 -164.67 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.129 0.893 . . . . 0.0 111.492 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 9.9 mtpm? -62.21 -54.62 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.367 -0.208 . . . . 0.0 111.47 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.249 1.075 0 O-C-N 123.968 0.793 . . . . 0.0 110.529 -174.606 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -160.68 160.8 31.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.59 143.05 47.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.31 146.66 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.03 0.443 . . . . 0.0 110.777 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.49 177.68 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.294 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.3 ptt180 -48.32 149.23 2.81 Favored Pre-proline 0 CA--C 1.535 0.394 0 O-C-N 123.663 0.602 . . . . 0.0 111.774 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.615 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo -51.04 128.04 23.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.273 2.649 . . . . 0.0 112.34 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.431 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.474 ' HA ' HD23 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.655 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.687 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -82.64 -26.56 32.07 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 54.1 mtm -76.1 -21.77 56.31 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 14.1 ptmm? -58.6 -29.73 66.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.723 0.297 . . . . 0.0 111.313 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.93 -44.95 10.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.545 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 p80 43.55 68.27 3.12 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 124.005 0.922 . . . . 0.0 113.292 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.51 -46.25 2.04 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.122 1.881 . . . . 0.0 111.77 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -70.14 -33.79 72.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 61.34 93.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.139 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HB2' ' H ' ' A' ' 73' ' ' TYR . 1.8 ptpp? -127.15 -164.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.727 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.445 ' H ' ' HB2' ' A' ' 72' ' ' LYS . 88.6 m-85 -46.25 111.69 0.4 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.082 0.863 . . . . 0.0 111.906 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -64.28 143.31 98.41 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.36 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.29 156.67 34.13 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.583 2.189 . . . . 0.0 111.261 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.576 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 8.8 ttp180 -66.05 -58.36 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.851 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 20.4 mmm180 -127.26 -72.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.57 0.224 . . . . 0.0 110.632 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.6 tptt 68.22 113.95 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.115 0.885 . . . . 0.0 111.022 -173.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.07 153.03 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.309 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -166.77 163.38 16.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.631 -1.176 . . . . 0.0 111.694 -178.07 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -141.53 158.77 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.356 0.598 . . . . 0.0 112.072 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.04 -164.79 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.586 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -68.18 127.57 30.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 8.1 mptt -91.9 94.66 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.436 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -113.74 157.42 41.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.074 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo -75.68 142.87 26.34 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 111.838 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 57' ' ' ALA . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' HD11 ' A' ' 38' ' ' LEU . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 4.5 p30 -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 18' ' ' GLN . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.419 HG23 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.623 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.623 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.555 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -79.61 -41.61 26.7 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 20.3 ptp -69.74 -23.66 63.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.916 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 72.2 mmtt -69.53 -16.99 63.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.757 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.1 tp10 60.91 -163.02 0.26 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.05 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 69' ' ' PRO . 74.7 m80 75.11 162.25 0.15 Allowed Pre-proline 0 C--O 1.234 0.275 0 C-N-CA 122.812 0.445 . . . . 0.0 110.342 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.56 ' HB2' ' HE2' ' A' ' 73' ' ' TYR . 91.0 Cg_endo -78.04 -164.88 0.3 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.467 2.111 . . . . 0.0 112.121 175.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -68.18 -22.97 64.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.897 0.38 . . . . 0.0 111.096 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 t80 60.94 34.38 19.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.83 0.824 . . . . 0.0 110.89 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 14.5 ptpt -172.34 22.25 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.475 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' HE2' ' HB2' ' A' ' 69' ' ' PRO . 23.9 p90 -84.03 131.98 34.77 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.907 -1.042 . . . . 0.0 108.643 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.55 143.53 93.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.403 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.15 -34.0 94.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.232 . . . . 0.0 113.072 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -128.14 -44.2 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.41 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 81.79 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.08 -37.74 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 163.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m 69.62 0.54 3.01 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.756 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 60.95 81.08 0.2 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.473 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.227 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.343 0.116 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.16 79.12 0.2 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 111.163 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -63.72 152.84 38.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.7 t -74.19 144.59 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' HG2' ' HB3' ' A' ' 63' ' ' LEU . 8.4 mptt -106.66 97.76 7.51 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.4 ptp180 -110.78 143.54 28.44 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.95 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 5.8 Cg_exo -79.78 143.43 16.6 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.29 2.66 . . . . 0.0 111.889 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.685 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' HD23 ' A' ' 38' ' ' LEU . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' HG21 ' A' ' 34' ' ' ILE . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 24.8 p-10 -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.612 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.791 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -74.42 -36.0 63.41 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 71.0 mtm -75.35 -23.4 57.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.083 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.71 -58.55 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' HD3' ' A' ' 69' ' ' PRO . 6.9 tt0 51.03 -161.69 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.154 0.909 . . . . 0.0 111.357 169.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.405 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 1.4 p-80 -132.87 64.25 70.35 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.574 169.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 4.7 Cg_exo -74.7 -13.33 22.15 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.193 2.596 . . . . 0.0 111.474 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.66 -23.41 64.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.264 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -138.53 82.64 1.92 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.323 0.582 . . . . 0.0 111.009 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 69' ' ' PRO . 19.6 ptmt -169.51 20.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.852 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -100.1 112.43 24.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.294 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -97.53 160.68 28.16 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.13 174.16 2.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.954 2.436 . . . . 0.0 112.555 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -64.99 -25.0 67.68 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -75.57 81.99 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.613 . . . . 0.0 109.615 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.08 81.74 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.304 -176.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 m 64.23 100.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.602 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -118.22 137.62 52.89 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.673 -177.797 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -151.72 153.5 34.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 111.121 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -135.47 148.28 49.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.539 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -75.57 106.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.17 0.51 . . . . 0.0 110.564 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -63.68 127.53 31.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.053 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -58.7 158.38 16.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.236 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.84 100.91 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.161 1.907 . . . . 0.0 109.896 166.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.536 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.409 ' HA ' ' HD2' ' A' ' 27' ' ' PRO . 10.6 p30 -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG21 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HA ' HD22 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.57 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.57 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -80.61 -45.54 17.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -75.08 -15.5 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.457 -176.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -59.75 -48.43 81.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.15 -164.41 0.16 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.925 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -136.08 155.04 77.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.38 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.2 176.73 5.96 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.346 2.031 . . . . 0.0 112.107 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -80.74 8.27 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.773 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -62.72 100.09 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.993 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 65.69 17.72 10.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.654 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.6 118.09 9.02 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.2 mmt180 -94.34 144.53 28.15 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 29.6 Cg_exo -61.6 101.57 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.553 2.169 . . . . 0.0 112.089 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -66.31 -59.33 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 77' ' ' ARG . 2.7 tpp180 -166.7 86.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.544 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -166.74 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 m -72.11 80.43 0.95 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.331 0.586 . . . . 0.0 110.435 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -149.27 91.32 1.82 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.036 -176.308 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.795 0.331 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HB2' ' NE ' ' A' ' 20' ' ' ARG . 15.4 t70 -73.42 156.14 38.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -72.57 122.85 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.81 148.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.478 0.656 . . . . 0.0 112.342 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -130.44 165.43 22.63 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 6' ' ' ARG . 29.7 mtm180 -67.66 151.07 97.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.031 -177.336 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -39.3 138.25 0.74 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.488 3.458 . . . . 0.0 114.484 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.665 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 65' ' ' MET . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HA ' ' CE ' ' A' ' 65' ' ' MET . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -79.73 -24.13 41.83 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.8 mtm -75.86 -31.44 59.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.912 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -84.41 -30.79 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 68.69 173.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.825 173.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -119.79 82.86 27.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.59 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.14 -18.35 39.98 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.87 2.38 . . . . 0.0 112.966 -176.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -82.4 -24.96 34.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.715 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.87 129.23 50.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.181 0.515 . . . . 0.0 111.809 -175.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -90.67 -164.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.971 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -73.94 108.99 7.09 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.418 0.628 . . . . 0.0 110.484 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 74' ' ' ARG . 12.1 mmt85 -86.71 146.27 40.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.882 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 52.8 Cg_exo -55.39 98.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.106 2.537 . . . . 0.0 113.34 -176.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.88 -67.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.053 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -139.22 12.88 2.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.52 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 94.87 5.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.241 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 p -119.61 -69.65 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.131 0.491 . . . . 0.0 109.999 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 81' ' ' THR . 23.0 ttpp -61.03 -44.1 97.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.115 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 95.1 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.732 -168.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.702 0.286 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.38 -1.56 56.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.693 0.283 . . . . 0.0 111.525 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -98.27 129.75 44.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.758 0.313 . . . . 0.0 110.282 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.38 176.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.736 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -115.37 140.23 49.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.854 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 6' ' ' ARG . 55.5 mtt-85 -87.56 149.76 47.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 24.6 Cg_exo -63.85 121.66 9.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.81 2.34 . . . . 0.0 111.014 171.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.577 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 13' ' ' VAL . 23.0 p-10 -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.577 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.651 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.506 ' ND2' ' HE2' ' A' ' 28' ' ' LYS . 30.8 p-10 -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HE2' ' ND2' ' A' ' 26' ' ' ASN . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.416 ' SD ' ' HG3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.651 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 11' ' ' PHE . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.711 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 10.4 t60 -83.22 -22.01 33.26 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.595 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 22.2 ptm -78.67 -16.94 56.7 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.013 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.25 4.65 14.39 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.205 0.526 . . . . 0.0 111.22 173.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -71.1 -164.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.837 171.356 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 72.9 m-70 -88.21 143.31 32.59 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 173.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 23.6 Cg_exo -63.82 150.81 87.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.557 -177.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -91.07 22.92 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.963 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -65.7 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.188 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -127.81 21.13 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.081 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -98.64 113.54 25.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.36 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.9 ptt180 -72.63 148.38 90.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.346 174.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 16.6 Cg_exo -68.74 122.2 9.13 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.797 2.331 . . . . 0.0 112.261 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -69.84 -45.17 68.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -104.99 -78.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 79' ' ' THR . 21.9 pttp -168.07 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 3.6 p -156.41 177.04 11.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.35 -1.296 . . . . 0.0 107.626 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.659 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -88.05 3.81 47.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.652 0.739 . . . . 0.0 109.789 172.679 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.216 176.338 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.772 0.32 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.0 170.25 15.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.486 -175.247 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -74.55 124.13 26.06 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 170.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 m -67.01 124.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.369 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.535 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -69.23 96.64 0.85 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 167.4 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -80.04 144.95 60.03 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -162.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.09 150.15 29.23 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.274 1.983 . . . . 0.0 109.141 160.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 21.5 p30 -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.554 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 57' ' ' ALA . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.541 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD23 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.734 ' HG2' HD12 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 13.9 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.423 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.734 HD12 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.796 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 46' ' ' SER . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.535 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . 34.8 m-70 -79.97 -21.02 44.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.9 ptm -86.65 -21.23 26.86 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.855 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.74 -21.0 22.89 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.625 -179.043 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 7.9 pt-20 -72.59 129.27 37.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 62.5 m-70 -60.48 147.11 83.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.388 -172.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.3 Cg_endo -85.32 -174.53 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.829 3.019 . . . . 0.0 112.746 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.631 ' OD2' ' HG2' ' A' ' 72' ' ' LYS . 17.8 t70 -114.77 -33.17 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.085 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.2 p90 44.54 48.16 8.45 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.631 ' HG2' ' OD2' ' A' ' 70' ' ' ASP . 7.4 ptpp? -110.95 3.43 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.372 0.606 . . . . 0.0 109.554 169.127 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -86.04 114.95 23.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.519 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 74' ' ' ARG . 65.5 mtt85 -62.55 145.22 95.23 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.39 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.63 111.79 2.68 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.106 1.87 . . . . 0.0 110.182 171.048 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -70.73 113.43 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 67.19 163.81 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.798 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -79.35 -42.63 25.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -149.01 151.32 34.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.468 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -87.41 144.64 26.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.28 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.248 0.981 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.472 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo . . . . . 0 N--CA 1.46 -0.455 0 CA-C-O 120.818 0.258 . . . . 0.0 111.685 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.695 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.504 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.598 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.485 ' HB3' HD21 ' A' ' 26' ' ' ASN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' PRO . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.485 HD21 ' HB3' ' A' ' 22' ' ' MET . 0.8 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.559 ' HB3' HD11 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.695 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.62 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 1.114 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 1.114 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.669 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 . . . . . 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 25.3 Cg_exo . . . . . 0 CA--C 1.531 0.342 0 CA-C-O 120.976 0.323 . . . . 0.0 111.963 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.729 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 76.9 m-70 . . . . . 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 3.7 Cg_exo . . . . . 0 N--CA 1.456 -0.679 0 N-CA-C 110.67 -0.55 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.662 HH12 ' HB2' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.664 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' HD13 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.653 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 49' ' ' GLU . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 . . . . . 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo . . . . . 0 N--CA 1.456 -0.704 0 N-CA-C 109.379 -1.047 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.534 HG11 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.664 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HD21 ' A' ' 26' ' ' ASN . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.4 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.534 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 13.6 m80 . . . . . 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo . . . . . 0 C--O 1.236 0.399 0 CA-C-O 120.847 0.27 . . . . 0.0 111.556 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.547 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.643 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.502 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.502 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.583 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' ALA . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 49' ' ' GLU . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.699 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.699 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.643 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG22 ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 . . . . . 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo . . . . . 0 N--CA 1.464 -0.26 0 N-CA-C 110.762 -0.515 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.891 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.891 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.603 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HA ' HE21 ' A' ' 24' ' ' GLN . 0.1 OUTLIER -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.454 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 . . . . . 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo . . . . . 0 CA--C 1.53 0.31 0 CA-C-O 121.082 0.367 . . . . 0.0 112.174 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.741 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.741 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.792 HD22 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.792 ' N ' HD22 ' A' ' 31' ' ' ASN . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.532 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 . . . . . 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 CA--C 1.533 0.435 0 CA-C-O 121.217 0.424 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.532 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 . . . . . 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo . . . . . 0 C--O 1.234 0.313 0 N-CA-C 111.327 -0.297 . . . . 0.0 111.327 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.695 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.471 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.601 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.601 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.568 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.557 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.685 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.617 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.685 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.713 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 . . . . . 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo . . . . . 0 C--O 1.233 0.238 0 CA-C-O 121.085 0.369 . . . . 0.0 111.798 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.463 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.555 ' HB3' HD21 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.538 ' O ' HG11 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 . . . . . 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 N--CA 1.451 -0.991 0 CA-C-O 120.946 0.311 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.479 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.636 ' HA ' HD11 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' MET . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.687 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 . . . . . 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.461 -0.427 0 N-CA-C 111.185 -0.352 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.677 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.677 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.572 ' HE3' ' HG3' ' A' ' 18' ' ' GLN . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.437 HD21 ' HB2' ' A' ' 22' ' ' MET . 0.3 OUTLIER -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.589 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.663 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.602 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.444 HH11 ' HD2' ' A' ' 61' ' ' ARG . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 . . . . . 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo . . . . . 0 C--O 1.235 0.36 0 CA-C-O 121.28 0.45 . . . . 0.0 112.913 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.419 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 57' ' ' ALA . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' HD11 ' A' ' 38' ' ' LEU . 56.6 tp60 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.719 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.575 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.658 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 . . . . . 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.615 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo . . . . . 0 C--O 1.233 0.26 0 CA-C-O 121.107 0.378 . . . . 0.0 112.34 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.431 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.474 ' HA ' HD23 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.655 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.687 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.571 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 t60 . . . . . 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo . . . . . 0 CA--C 1.531 0.352 0 CA-C-O 121.034 0.347 . . . . 0.0 111.838 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.46 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 57' ' ' ALA . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' HD11 ' A' ' 38' ' ' LEU . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.457 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.441 ' HG3' HD21 ' A' ' 26' ' ' ASN . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.441 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.2 OUTLIER -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 18' ' ' GLN . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.419 HG23 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.623 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.623 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 . . . . . 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo . . . . . 0 C--O 1.234 0.303 0 CA-C-O 120.713 0.214 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.685 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' HD23 ' A' ' 38' ' ' LEU . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' HG21 ' A' ' 34' ' ' ILE . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.6 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.612 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.791 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo . . . . . 0 N--CA 1.46 -0.491 0 N-CA-C 109.896 -0.848 . . . . 0.0 109.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.536 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.452 HD21 ' HG2' ' A' ' 22' ' ' MET . 0.4 OUTLIER -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.466 HG21 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HA ' HD22 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.57 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.57 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo . . . . . 0 C--O 1.234 0.282 0 N-CA-C 114.484 0.917 . . . . 0.0 114.484 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.476 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.665 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.513 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.436 ' N ' HD12 ' A' ' 60' ' ' LEU . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 C--O 1.233 0.253 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.577 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.577 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.651 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.416 ' SD ' ' HG3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.651 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 11' ' ' PHE . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.711 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.566 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 10.4 t60 . . . . . 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo . . . . . 0 N--CA 1.45 -1.086 0 N-CA-C 109.141 -1.138 . . . . 0.0 109.141 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.554 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 57' ' ' ALA . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.541 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD23 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.734 ' HG2' HD12 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 3.8 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.423 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.734 HD12 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.796 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 46' ' ' SER . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 . . . . . 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -127.58 13.74 7.01 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.236 -177.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -57.31 122.61 12.95 Favored 'General case' 0 C--O 1.236 0.343 0 N-CA-C 109.778 -0.453 . . . . 0.0 109.778 177.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.5 m -79.68 164.91 3.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.724 -172.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.5 mttp -132.45 105.48 7.29 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.502 -176.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 6' ' ' ARG . 1.0 OUTLIER -109.72 155.09 42.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -176.733 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.44 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 4.3 Cg_exo -78.15 139.92 17.34 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.922 2.414 . . . . 0.0 111.685 175.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.8 tpt -147.55 169.39 19.7 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.531 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -67.62 174.41 3.53 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.129 0.49 . . . . 0.0 111.532 178.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -46.87 -50.54 18.47 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 114.859 1.429 . . . . 0.0 114.859 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.695 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 62.3 t80 -55.1 -50.58 68.83 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.119 0.485 . . . . 0.0 111.664 -171.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.42 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.6 mpt? -68.8 -40.93 79.32 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.243 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.669 HG21 ' HB2' ' A' ' 57' ' ' ALA . 77.4 t -53.92 -54.0 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.2 179.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.504 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -61.51 -33.34 73.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.039 -178.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.532 ' HA ' HD23 ' A' ' 38' ' ' LEU . 49.4 m -67.01 -46.11 75.51 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.547 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.529 ' HA ' ' HE ' ' A' ' 16' ' ' ARG . 1.9 mmp_? -77.3 -47.56 19.72 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.821 -177.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -63.08 -52.47 47.39 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.751 -177.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.407 ' O ' ' HB2' ' A' ' 22' ' ' MET . 78.1 mm-40 -62.16 -40.68 96.82 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.634 0.217 . . . . 0.0 110.821 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -60.2 -37.96 81.87 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 178.198 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.598 HH11 ' HA ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -70.93 -57.83 4.19 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.615 0.245 . . . . 0.0 110.814 179.813 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HA ' HH11 ' A' ' 20' ' ' ARG . 13.1 ptmt -63.81 -43.04 97.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.587 -0.278 . . . . 0.0 111.742 -173.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.485 ' HB3' HD21 ' A' ' 26' ' ' ASN . 50.5 mtm -70.46 -38.64 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 27' ' ' PRO . . . -63.51 -30.9 71.95 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.336 -178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -83.77 -34.39 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.604 -0.271 . . . . 0.0 111.538 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -88.02 -38.5 15.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.692 -176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.485 HD21 ' HB3' ' A' ' 22' ' ' MET . 0.8 OUTLIER -124.49 85.34 56.16 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 121.554 0.692 . . . . 0.0 109.603 172.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.406 ' HA ' ' O ' ' A' ' 23' ' ' ALA . 61.2 Cg_exo -52.55 -37.25 73.47 Favored 'Trans proline' 0 N--CA 1.475 0.406 0 C-N-CA 124.213 3.275 . . . . 0.0 115.114 -166.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HB2' ' HE3' ' A' ' 28' ' ' LYS . 12.8 ptmt -76.55 -0.0 21.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -172.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.559 ' HB3' HD11 ' A' ' 34' ' ' ILE . 59.3 mtm -115.62 113.97 24.28 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -171.66 10.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.679 -165.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -139.9 -152.2 0.4 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.361 -172.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.9 m -54.75 -27.83 44.06 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 112.625 0.602 . . . . 0.0 112.625 -177.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.52 -41.81 88.24 Favored 'General case' 0 C--N 1.334 -0.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 109.58 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD11 ' HB3' ' A' ' 29' ' ' MET . 9.4 mm -56.37 -40.49 67.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.455 170.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.2 m -64.87 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.992 0.425 . . . . 0.0 110.32 -178.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -75.22 -40.82 58.81 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.537 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 1.5 mmt180 -59.71 -53.91 52.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.905 178.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.532 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -61.76 -39.52 91.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.237 -0.438 . . . . 0.0 112.099 -174.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.53 -44.7 97.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.487 -0.863 . . . . 0.0 111.731 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.33 -43.08 87.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.782 0.325 . . . . 0.0 110.773 178.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.537 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 53.3 mm-40 -65.99 -33.46 75.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.754 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.695 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.0 OUTLIER -63.22 -41.52 99.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.267 178.277 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.05 -30.93 71.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -99.74 23.84 9.12 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.884 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -59.24 124.8 21.17 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-O 121.088 0.47 . . . . 0.0 111.471 -176.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.3 m -92.34 141.04 28.99 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.835 172.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -52.09 -28.77 18.77 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 113.347 0.869 . . . . 0.0 113.347 -175.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.1 t -63.66 -30.58 71.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.015 0.436 . . . . 0.0 110.545 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 35.2 mm-40 -87.01 -12.34 47.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.029 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.62 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 1.1 tmmt? -58.3 -44.8 88.73 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 111.665 0.246 . . . . 0.0 111.665 176.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 1.114 ' HG3' ' HD3' ' A' ' 52' ' ' PRO . 2.3 ptm180 -61.41 -44.9 94.14 Favored Pre-proline 0 CA--C 1.545 0.758 0 N-CA-C 113.62 0.971 . . . . 0.0 113.62 -176.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 1.114 ' HD3' ' HG3' ' A' ' 51' ' ' ARG . 26.2 Cg_exo -63.79 -14.43 42.93 Favored 'Trans proline' 0 C--N 1.358 1.043 0 C-N-CA 121.622 1.548 . . . . 0.0 113.886 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.62 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 50.2 m-85 -58.73 -42.56 89.05 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.946 0.879 . . . . 0.0 108.915 171.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.485 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.9 mm -82.18 -36.57 14.0 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 CA-C-N 114.582 -1.19 . . . . 0.0 109.135 -173.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -69.22 -41.44 77.04 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.691 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 15.1 tp10 -60.56 -39.48 88.1 Favored 'General case' 0 CA--C 1.533 0.297 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 175.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.669 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.25 -40.07 88.98 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.464 176.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 59.1 mtpt -61.66 -38.15 86.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.976 0.417 . . . . 0.0 110.482 179.209 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.505 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 18.1 mtm180 -70.04 -34.1 72.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.965 177.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 90.3 mt -64.48 -40.57 95.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.054 0.454 . . . . 0.0 110.379 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 33.8 ttp85 -68.07 -30.0 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.892 0.377 . . . . 0.0 109.997 177.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' ' HG3' ' A' ' 65' ' ' MET . . . -67.92 -35.74 78.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.216 0.531 . . . . 0.0 110.039 175.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 87.7 mt -66.45 -24.5 66.44 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.473 174.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -76.79 -35.45 57.63 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.856 179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.494 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 0.0 OUTLIER -79.38 -15.06 58.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 110.781 179.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -68.33 -13.28 62.16 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.073 172.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -98.58 167.67 10.66 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 51.4 p-80 -55.51 143.75 56.4 Favored Pre-proline 0 C--O 1.236 0.356 0 CA-C-O 120.503 0.192 . . . . 0.0 110.524 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.82 -177.78 3.07 Favored 'Trans proline' 0 N--CA 1.463 -0.292 0 C-N-CA 122.529 2.153 . . . . 0.0 112.124 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.57 ' O ' ' HG3' ' A' ' 72' ' ' LYS . 10.5 p-10 -84.75 24.84 0.98 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.695 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -53.83 120.3 6.11 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.199 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 70' ' ' ASP . 87.7 mttt -103.7 -164.7 1.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.283 0.563 . . . . 0.0 112.169 -170.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -58.47 116.92 3.96 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.769 -1.105 . . . . 0.0 111.017 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.461 ' HD3' ' HG2' ' A' ' 78' ' ' LYS . 16.9 ptt180 -45.73 143.86 2.93 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.715 175.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 25.0 Cg_exo -63.74 -47.17 7.48 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.728 2.285 . . . . 0.0 111.399 178.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 39.1 mtm180 -148.25 -51.5 0.18 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.55 174.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -131.38 156.72 45.04 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 174.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.804 ' HE3' ' HA ' ' A' ' 81' ' ' THR . 63.1 pttt -135.88 131.48 35.31 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.037 0.446 . . . . 0.0 110.185 174.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -91.49 32.11 1.1 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.593 0.711 . . . . 0.0 110.643 -177.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -153.05 52.49 0.75 Allowed 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.804 ' HA ' ' HE3' ' A' ' 78' ' ' LYS . 8.0 t . . . . . 0 C--O 1.251 1.135 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.098 -173.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.7 m . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.98 0.419 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -84.47 94.33 8.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.239 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -135.99 166.47 23.27 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.014 -179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.407 ' C ' ' HD2' ' A' ' 5' ' ' LYS . 27.5 m -96.02 169.46 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.616 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HD2' ' C ' ' A' ' 4' ' ' VAL . 0.2 OUTLIER -132.76 173.85 10.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.721 0.296 . . . . 0.0 110.452 -177.723 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.6 mmt-85 -109.81 150.87 41.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.212 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.491 ' HB3' ' HB1' ' A' ' 57' ' ' ALA . 25.3 Cg_exo -63.63 124.39 13.61 Favored 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.847 2.365 . . . . 0.0 111.963 176.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -81.11 169.55 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.177 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -65.92 158.9 26.83 Favored 'General case' 0 C--O 1.237 0.4 0 N-CA-C 112.422 0.526 . . . . 0.0 112.422 -179.871 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.56 -40.13 8.36 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 116.086 1.884 . . . . 0.0 116.086 -172.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CD2' ' A' ' 42' ' ' TRP . 70.3 t80 -61.3 -49.98 74.85 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 120.184 1.357 . . . . 0.0 110.412 -177.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.438 ' CE ' ' HA ' ' A' ' 12' ' ' MET . 4.8 mmt -66.39 -34.48 78.06 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.593 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.6 t -58.13 -42.9 84.31 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.879 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.761 176.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -28.25 63.92 Favored 'General case' 0 C--N 1.313 -0.986 0 C-N-CA 119.644 -0.822 . . . . 0.0 110.541 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.7 m -68.09 -59.91 2.88 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.333 -0.947 . . . . 0.0 109.561 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 28.7 mtp85 -79.38 -42.51 25.4 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.481 -174.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.462 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -81.37 -38.36 15.02 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.651 -0.704 . . . . 0.0 113.181 -173.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.628 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 8.6 tm0? -70.35 -35.1 73.36 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 108.153 -1.054 . . . . 0.0 108.153 177.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.45 ' HG2' HD13 ' A' ' 34' ' ' ILE . 63.2 mtm180 -59.24 -33.09 70.59 Favored 'General case' 0 C--N 1.339 0.111 0 C-N-CA 119.863 -0.735 . . . . 0.0 110.553 171.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 6.6 tpp180 -67.24 -59.45 3.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-O 119.501 -0.285 . . . . 0.0 111.306 177.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.628 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.72 -46.25 81.42 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.359 176.157 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 52.6 tpp -54.97 -49.35 71.64 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 122.61 0.364 . . . . 0.0 111.545 -178.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.521 ' HA ' ' HB3' ' A' ' 27' ' ' PRO . . . -66.85 -28.57 68.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.78 -176.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -83.5 -22.31 32.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.878 0.371 . . . . 0.0 111.085 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -96.76 -48.76 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.579 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -164.35 83.5 1.25 Allowed Pre-proline 0 C--N 1.327 -0.392 0 CA-C-O 121.216 0.531 . . . . 0.0 110.975 -177.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.521 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 96.0 Cg_endo -79.52 63.41 8.73 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.657 2.238 . . . . 0.0 113.188 -175.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -101.82 -26.99 13.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.159 0.505 . . . . 0.0 110.528 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 29' ' ' MET . 1.9 mpt? -80.91 126.46 31.39 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.678 -0.489 . . . . 0.0 109.678 178.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -119.85 121.25 38.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -175.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 58.4 m-80 45.31 -87.94 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 114.438 1.273 . . . . 0.0 114.438 172.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -65.03 -39.29 93.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 111.123 -174.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -55.28 -50.93 68.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.081 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 62.2 mt -60.45 -36.74 71.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.416 179.392 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.0 m -72.46 -32.84 66.58 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.812 -176.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 70.5 mmtt -76.0 -53.52 8.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.232 -174.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.0 mtt85 -70.55 -48.93 53.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.378 -176.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.3 mp -70.16 -39.13 75.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.651 -175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -67.57 -39.18 90.87 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.678 -0.772 . . . . 0.0 111.538 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.479 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . . . -62.15 -46.15 90.27 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 115.804 -0.198 . . . . 0.0 110.74 178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 11.9 pt-20 -78.11 -25.26 47.43 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.241 -177.286 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' CD2' ' HD1' ' A' ' 11' ' ' PHE . 5.2 t90 -63.76 -32.75 74.35 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.996 0.427 . . . . 0.0 110.227 176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' HE2' ' HA ' ' A' ' 40' ' ' ALA . 56.4 mtmt -59.73 -17.13 32.5 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.832 177.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.5 18.11 20.09 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.758 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.8 tp -78.28 127.1 31.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.033 0.444 . . . . 0.0 111.531 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.9 m -91.93 151.65 20.42 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 172.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' HA ' ' HE3' ' A' ' 50' ' ' LYS . 14.1 pt-20 -67.78 -23.54 65.22 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -173.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -66.03 -30.45 70.99 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.201 0.524 . . . . 0.0 110.334 175.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.591 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 34.8 mt-10 -85.78 -11.57 53.19 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.532 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -64.54 -13.38 52.39 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.475 -0.784 . . . . 0.0 112.062 -178.413 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.421 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 16.9 tpt180 -53.87 -56.46 25.27 Favored Pre-proline 0 CA--C 1.54 0.591 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -172.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.591 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 40.4 Cg_endo -66.41 -19.12 55.58 Favored 'Trans proline' 0 C--N 1.353 0.763 0 C-N-CA 121.635 1.557 . . . . 0.0 112.724 -177.012 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.729 ' O ' HG11 ' A' ' 13' ' ' VAL . 20.7 m-85 -62.98 -32.86 74.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.569 0.699 . . . . 0.0 109.434 174.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.9 mm -67.46 -31.23 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 N-CA-C 108.886 -0.783 . . . . 0.0 108.886 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -73.52 -41.75 62.65 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.184 -176.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.549 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 60.2 mm-40 -54.87 -36.99 65.7 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 172.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.491 ' HB1' ' HB3' ' A' ' 7' ' ' PRO . . . -66.68 -38.08 86.05 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.375 176.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 90.3 mttt -60.19 -46.63 89.06 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.159 0.504 . . . . 0.0 109.704 177.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.504 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 7.5 mpt_? -57.46 -42.19 82.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.618 177.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 87.1 mt -57.58 -48.56 79.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.769 178.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 9.7 ttm180 -62.56 -51.35 67.69 Favored 'General case' 0 C--O 1.222 -0.383 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.012 -179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -57.49 -47.88 80.73 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.104 0.478 . . . . 0.0 111.691 -175.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.504 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 75.4 mt -68.48 -44.06 75.57 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.037 -176.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.605 ' HA ' ' O ' ' A' ' 67' ' ' GLU . 76.9 m-70 -82.26 -19.08 40.31 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 -174.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.591 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.1 ptm -72.78 -27.44 61.99 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 173.132 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -83.51 -57.48 3.22 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.82 172.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' ' HA ' ' A' ' 64' ' ' HIS . 19.9 tp10 -120.38 120.72 36.79 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.016 -174.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 11.1 p-80 -151.39 143.13 15.84 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.0 OUTLIER -87.33 -165.2 0.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 123.397 2.731 . . . . 0.0 112.086 175.592 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -85.75 17.45 3.36 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -175.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -66.77 113.82 5.16 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 175.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.415 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 34.9 pttt -103.43 5.49 37.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.92 -169.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -81.28 117.27 21.63 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.065 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.1 ptt85 -119.28 156.84 52.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 169.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -66.95 136.11 40.17 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 121.736 1.624 . . . . 0.0 110.409 170.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 52.4 ttm-85 -74.0 -85.38 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.989 -177.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 86.0 mtt180 -154.55 127.6 8.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.0 0.429 . . . . 0.0 111.33 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -111.4 74.84 0.89 Allowed 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 165.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 23.1 m -92.7 83.87 4.92 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.684 179.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 9.1 tmtm? -85.07 125.48 32.79 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.635 -178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.1 m . . . . . 0 C--O 1.247 0.947 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 176.439 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.48 1.029 0 N-CA-C 111.515 0.191 . . . . 0.0 111.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 62.27 92.68 0.05 Allowed 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.091 0.472 . . . . 0.0 112.266 178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 3' ' ' ARG . 17.3 mmm180 -111.24 124.34 52.02 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.49 172.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 m -69.62 116.73 11.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.253 0.549 . . . . 0.0 111.314 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 64' ' ' HIS . 2.2 mptt -100.95 116.97 34.07 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.857 179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 14.2 mmt180 -109.48 142.33 25.47 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.675 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 3.7 Cg_exo -80.89 101.97 1.34 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.071 2.514 . . . . 0.0 110.67 174.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.0 tpt -114.19 170.96 7.9 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.715 -174.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.6 p-10 -62.15 153.96 28.62 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.002 0.43 . . . . 0.0 110.624 173.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HA ' ' HB ' ' A' ' 13' ' ' VAL . . . -45.25 -35.92 3.66 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 115.444 1.646 . . . . 0.0 115.444 -173.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.01 -52.05 67.03 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 119.437 1.017 . . . . 0.0 111.508 -176.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -69.18 -36.46 77.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 74.1 t -54.78 -46.61 74.62 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.001 0 CA-C-N 114.851 -1.068 . . . . 0.0 110.978 177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.653 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 1.3 t90 -70.95 -28.76 64.72 Favored 'General case' 0 N--CA 1.438 -1.049 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.429 -176.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 18.8 t -62.72 -57.96 9.14 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 119.798 -0.761 . . . . 0.0 109.436 177.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -79.67 -28.18 40.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.689 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.81 -42.67 8.79 Favored Glycine 0 C--N 1.321 -0.26 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.904 -176.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.664 ' O ' ' HB2' ' A' ' 22' ' ' MET . 55.7 tp60 -64.05 -31.52 72.74 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 174.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.662 HH12 ' HB2' ' A' ' 23' ' ' ALA . 38.4 tpt85 -63.25 -38.3 90.61 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.752 170.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 ttt-85 -69.81 -60.81 2.08 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-N 116.68 -0.236 . . . . 0.0 111.111 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.513 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -56.36 -30.95 63.3 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.519 175.851 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.664 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 48.7 tpp -54.82 -50.8 67.68 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.797 0.332 . . . . 0.0 110.374 177.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.662 ' HB2' HH12 ' A' ' 19' ' ' ARG . . . -62.68 -31.18 72.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.115 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -80.01 -42.39 23.94 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.803 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.441 ' OE2' ' HB2' ' A' ' 21' ' ' LYS . 48.1 mt-10 -93.86 -49.81 5.64 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 113.22 0.822 . . . . 0.0 113.22 -170.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -162.91 82.37 1.56 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-O 121.301 0.572 . . . . 0.0 112.445 -175.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.512 ' HB3' ' HA ' ' A' ' 23' ' ' ALA . 43.5 Cg_endo -93.37 82.83 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.896 0 C-N-CA 122.658 2.238 . . . . 0.0 112.902 -179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -104.03 -29.04 11.15 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 176.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.88 163.08 15.08 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.032 0.444 . . . . 0.0 112.046 -172.361 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 34' ' ' ILE . 34.7 m80 -79.09 163.53 25.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.411 -0.813 . . . . 0.0 110.945 -176.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 34' ' ' ILE . 10.4 p30 -71.22 -23.29 61.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.838 -176.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 24.4 p -63.17 -47.56 82.12 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.021 0.439 . . . . 0.0 110.3 177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -63.15 -44.84 94.37 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 177.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' O ' HD13 ' A' ' 38' ' ' LEU . 82.1 mt -52.88 -37.45 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.463 177.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 31.5 m -66.78 -41.92 86.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.157 0.503 . . . . 0.0 110.602 -177.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.44 ' HA ' ' HD3' ' A' ' 36' ' ' LYS . 63.8 mmtt -75.44 -36.48 60.74 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.201 -177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.538 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 36.4 mtp180 -68.16 -42.98 79.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.624 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.653 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 6.1 mp -60.43 -38.79 85.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.139 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.44 -44.36 98.13 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.015 175.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.26 -38.3 89.89 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 120.652 0.263 . . . . 0.0 110.901 178.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 16.3 mm-40 -64.51 -46.01 84.78 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.326 178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 23.3 t-105 -58.65 -34.78 71.59 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.337 -179.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 21.3 tptp -60.11 -32.51 71.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.889 0.376 . . . . 0.0 110.783 -179.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 77.7 mt -99.64 -9.18 23.46 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.052 -179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.431 HD12 ' HB2' ' A' ' 49' ' ' GLU . 20.5 tp -58.99 120.62 9.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.494 -174.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 41.2 p -91.75 169.5 10.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.761 170.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.52 -27.22 63.05 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -176.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -67.82 -30.92 70.46 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.244 0.545 . . . . 0.0 110.227 176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 39.1 mt-10 -83.12 -12.71 56.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.361 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.5 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 37.1 ttmt -71.81 -14.19 61.9 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.168 -178.521 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.568 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 5.6 tpt180 -56.12 -56.33 32.19 Favored Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -176.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.576 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 39.1 Cg_exo -60.97 -17.68 52.91 Favored 'Trans proline' 0 C--N 1.355 0.893 0 C-N-CA 121.844 1.696 . . . . 0.0 113.386 -175.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 10.2 m-85 -58.85 -41.11 86.22 Favored 'General case' 0 CA--C 1.512 -0.513 0 CA-C-O 121.615 0.721 . . . . 0.0 109.361 171.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.55 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 50.6 mm -73.85 -31.91 32.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.093 -172.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.564 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 24.0 m-20 -70.35 -45.2 66.58 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.748 -177.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 68.4 mm-40 -57.25 -36.43 70.96 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 109.595 -0.521 . . . . 0.0 109.595 171.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.53 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -62.05 -44.03 97.58 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.99 178.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 25.8 mtmt -57.51 -40.4 78.63 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.644 0.735 . . . . 0.0 109.581 178.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.652 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 97.1 mtt180 -67.7 -39.79 84.38 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.97 -177.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.539 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 65.4 mt -62.93 -44.2 96.7 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 121.24 0.543 . . . . 0.0 110.1 175.438 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 15.0 ttm180 -58.32 -47.57 83.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.595 179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.08 -37.44 85.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.352 -178.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.652 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 92.7 mt -60.46 -38.66 84.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.297 179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.447 ' HB2' ' HB2' ' A' ' 5' ' ' LYS . 49.1 t-80 -82.78 -27.69 30.83 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.742 -0.783 . . . . 0.0 110.972 175.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.7 ttp -73.3 -21.72 60.52 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.365 -175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.468 ' HD2' ' C ' ' A' ' 66' ' ' LYS . 0.1 OUTLIER -78.1 -3.97 44.98 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.891 -0.323 . . . . 0.0 111.389 178.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.4 ' OE2' ' HA ' ' A' ' 64' ' ' HIS . 45.9 mt-10 -87.97 165.11 15.45 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.308 -177.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -44.35 92.13 0.05 OUTLIER Pre-proline 0 N--CA 1.48 1.049 0 C-N-CA 124.488 1.115 . . . . 0.0 113.613 -174.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.556 ' HA ' ' CE2' ' A' ' 71' ' ' TYR . 72.8 Cg_endo -71.6 -3.68 13.55 Favored 'Trans proline' 0 C--N 1.351 0.669 0 C-N-CA 123.789 2.992 . . . . 0.0 113.714 -169.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -84.19 23.99 1.0 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.753 0.311 . . . . 0.0 111.144 -179.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 69' ' ' PRO . 13.7 p90 -68.15 169.4 10.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.924 0.392 . . . . 0.0 111.191 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HE2' ' HB3' ' A' ' 72' ' ' LYS . 14.2 ptpt -76.84 0.01 22.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 -171.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.539 ' HB2' ' CE1' ' A' ' 71' ' ' TYR . 27.3 m-85 -82.48 112.01 19.01 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 171.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 41.7 mtm180 -117.51 143.84 32.96 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.748 -170.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 3.7 Cg_exo -76.28 161.63 34.77 Favored 'Trans proline' 0 N--CA 1.459 -0.519 0 C-N-CA 123.323 2.682 . . . . 0.0 110.932 173.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -102.26 139.51 37.78 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.799 0.333 . . . . 0.0 110.951 -178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.0 mtp180 -72.25 124.13 24.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.484 176.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 ptmm? -72.46 97.59 2.11 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.1 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.447 HG22 ' H ' ' A' ' 80' ' ' LYS . 3.2 m -68.36 168.28 12.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.191 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.447 ' H ' HG22 ' A' ' 79' ' ' THR . 9.6 tmtm? 70.65 75.63 0.2 Allowed 'General case' 0 N--CA 1.461 0.12 0 CA-C-O 121.99 0.9 . . . . 0.0 109.044 -176.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.1 m . . . . . 0 C--O 1.246 0.901 0 CA-C-N 114.531 -1.213 . . . . 0.0 108.81 178.06 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.478 0.967 0 CA-C-O 121.348 0.594 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.542 ' OD2' ' HD3' ' A' ' 3' ' ' ARG . 6.9 p-10 -157.49 -154.35 0.45 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.65 -0.705 . . . . 0.0 109.661 -174.144 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.542 ' HD3' ' OD2' ' A' ' 2' ' ' ASP . 0.1 OUTLIER -65.2 125.69 25.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.663 0.744 . . . . 0.0 111.982 -173.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.3 m -124.43 -166.13 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.46 176.118 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.462 ' HD3' ' HA ' ' A' ' 5' ' ' LYS . 69.7 mmtt -67.92 131.72 46.02 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.249 0.547 . . . . 0.0 110.925 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.2 mmt180 -86.52 156.65 56.26 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 115.098 -0.955 . . . . 0.0 111.079 -174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -67.16 89.24 0.31 Allowed 'Trans proline' 0 N--CA 1.456 -0.704 0 C-N-CA 122.148 1.899 . . . . 0.0 109.379 164.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.7 tpt -69.23 171.1 8.94 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.868 -174.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.437 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.7 p-10 -59.55 150.27 27.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.13 0.491 . . . . 0.0 110.669 174.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -45.22 -42.05 8.98 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.41 1.633 . . . . 0.0 115.41 -171.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 46.8 t80 -60.78 -50.5 73.19 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.213 0.915 . . . . 0.0 111.962 -174.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 87.7 mtp -67.17 -37.5 83.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.338 0.589 . . . . 0.0 109.414 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.534 HG11 ' O ' ' A' ' 53' ' ' PHE . 76.4 t -56.25 -51.45 63.08 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.908 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.738 176.325 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.718 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -61.41 -27.74 68.76 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.352 -175.774 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 48.7 m -63.06 -58.32 7.67 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.535 -0.866 . . . . 0.0 110.244 175.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.437 HH11 ' HD3' ' A' ' 16' ' ' ARG . 53.5 mtt180 -78.66 -42.89 27.44 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -175.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.664 ' HA2' HD21 ' A' ' 60' ' ' LEU . . . -73.77 -43.34 35.71 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.984 -0.553 . . . . 0.0 113.5 -175.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.627 ' HB2' ' CD1' ' A' ' 14' ' ' TRP . 57.0 tp60 -65.82 -37.31 85.89 Favored 'General case' 0 CA--C 1.516 -0.363 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -63.24 -36.98 85.46 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 120.304 -0.559 . . . . 0.0 110.032 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -64.11 -60.1 3.64 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 111.498 0.184 . . . . 0.0 111.498 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 18.3 ptmt -60.14 -41.38 92.57 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 120.453 -0.499 . . . . 0.0 112.181 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.445 ' HG3' HD21 ' A' ' 26' ' ' ASN . 38.7 ttp -69.59 -40.0 76.95 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -25.74 62.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.88 0.372 . . . . 0.0 111.057 -179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.3 -24.2 40.14 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.816 177.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -95.32 -49.23 5.55 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.585 -178.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.445 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.4 OUTLIER -150.57 85.24 5.34 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.979 0.419 . . . . 0.0 111.112 -175.037 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -89.09 77.28 1.22 Allowed 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 122.704 2.269 . . . . 0.0 113.184 -177.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.627 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 12.7 tmtt? -103.82 -29.3 11.09 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.371 0.605 . . . . 0.0 109.505 172.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.577 ' HB2' ' HB2' ' A' ' 33' ' ' GLU . 19.9 ptp -101.32 146.73 27.18 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.581 -175.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.7 t-160 -109.62 -64.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.074 -174.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 44.8 m-80 -134.41 -51.72 0.81 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 111.409 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.624 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 15.8 m -61.72 -49.39 76.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.961 -170.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' HB2' ' HB2' ' A' ' 29' ' ' MET . 4.3 mp0 -64.92 -42.89 94.33 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.053 0.454 . . . . 0.0 109.964 -175.364 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.506 ' O ' HD13 ' A' ' 38' ' ' LEU . 47.7 mt -58.55 -39.23 74.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.226 -0.897 . . . . 0.0 110.502 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.2 p -74.14 -29.87 62.01 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.928 -176.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.624 ' HG2' ' O ' ' A' ' 32' ' ' SER . 75.1 mmtt -68.01 -50.1 57.53 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.966 0.413 . . . . 0.0 110.232 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.49 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.1 mtp-105 -63.72 -53.26 53.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.786 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.718 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.3 mp -58.48 -39.61 80.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.949 -0.569 . . . . 0.0 112.107 -172.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -66.32 -45.51 85.59 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.955 178.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.616 0.246 . . . . 0.0 111.217 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.49 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 47.3 mm-40 -65.19 -48.27 74.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.847 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.573 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 24.4 t-105 -64.42 -33.15 75.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.486 -175.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 60.9 mttm -57.98 -27.38 63.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.9 mp -117.33 19.37 14.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.491 0.186 . . . . 0.0 110.766 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.573 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 14.4 tp -79.3 137.13 37.23 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.074 0.464 . . . . 0.0 111.417 -175.141 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.7 m -91.84 158.69 16.18 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.697 -0.683 . . . . 0.0 109.854 175.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.595 ' O ' ' HB2' ' A' ' 50' ' ' LYS . 4.9 mm-40 -71.41 -26.44 62.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.851 0.357 . . . . 0.0 110.487 179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.3 t -66.45 -29.65 69.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.351 0.596 . . . . 0.0 109.761 173.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.495 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 46.8 mt-10 -77.68 -12.13 59.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.702 179.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 47' ' ' GLU . 17.1 mttp -65.24 -16.32 63.42 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.302 -0.408 . . . . 0.0 112.074 178.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -57.57 -55.96 39.25 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -173.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.495 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.3 Cg_endo -61.68 -26.68 80.32 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.599 1.533 . . . . 0.0 112.911 -178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.534 ' O ' HG11 ' A' ' 13' ' ' VAL . 6.7 m-85 -58.52 -36.5 73.94 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.659 0.742 . . . . 0.0 109.861 174.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 51.0 mm -71.55 -30.8 40.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.142 -0.936 . . . . 0.0 108.648 -174.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.603 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 27.8 t70 -71.15 -44.04 66.33 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.316 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.633 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 17.3 mm-40 -54.73 -36.68 65.02 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.7 -46.23 86.44 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 115.657 -0.702 . . . . 0.0 111.61 178.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 49.0 mtmt -58.18 -38.76 77.3 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-O 121.109 0.48 . . . . 0.0 110.373 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.547 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 14.4 mtp180 -68.55 -36.9 79.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.454 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.664 HD21 ' HA2' ' A' ' 17' ' ' GLY . 83.6 mt -58.57 -37.92 76.78 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.733 177.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.5 -44.98 70.01 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.12 -179.114 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.644 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.206 0.527 . . . . 0.0 111.047 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.6 mt -66.29 -33.94 76.87 Favored 'General case' 0 CA--C 1.508 -0.663 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.383 179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 13.6 m80 -79.36 -18.92 51.42 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 120.228 -0.589 . . . . 0.0 112.308 -176.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.644 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 24.5 ptt? -78.24 -25.63 46.97 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 172.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.461 ' HB3' ' HE2' ' A' ' 66' ' ' LYS . 40.0 mtpt -73.8 -45.08 53.72 Favored 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.596 170.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 51.9 mt-10 -63.98 -62.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.076 -0.966 . . . . 0.0 111.76 -179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 21.7 p80 43.18 83.78 0.2 Allowed Pre-proline 0 N--CA 1.469 0.498 0 C-N-CA 123.876 0.87 . . . . 0.0 111.075 -168.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_endo -63.12 163.88 21.42 Favored 'Trans proline' 0 N--CA 1.465 -0.183 0 C-N-CA 123.158 2.572 . . . . 0.0 112.731 -175.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -89.24 12.22 16.61 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.401 -179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -64.63 136.9 57.47 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.307 -0.998 . . . . 0.0 108.307 174.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 36.4 mtmm -66.11 85.39 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -171.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -118.45 112.31 19.79 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 107.804 -1.184 . . . . 0.0 107.804 166.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.451 ' HB3' ' HD2' ' A' ' 75' ' ' PRO . 99.2 mtt180 -115.91 160.39 35.45 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 -174.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.451 ' HD2' ' HB3' ' A' ' 74' ' ' ARG . 1.1 Cg_endo -43.09 147.89 0.65 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 C-N-CA 124.115 3.21 . . . . 0.0 113.642 -177.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 13.6 ptt-85 -104.68 134.27 48.11 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.301 -175.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -85.67 95.7 9.45 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 175.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt 63.52 -173.18 0.16 Allowed 'General case' 0 C--O 1.235 0.304 0 O-C-N 123.836 0.71 . . . . 0.0 110.148 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 28.5 m -151.87 -56.89 0.14 Allowed 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.077 0.465 . . . . 0.0 109.875 177.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.4 119.77 0.32 Allowed 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 177.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 40.4 m . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.521 -0.752 . . . . 0.0 109.847 178.584 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.3 p . . . . . 0 N--CA 1.477 0.88 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -93.86 115.84 28.26 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.384 -175.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.925 ' HD2' ' HA ' ' A' ' 74' ' ' ARG . 13.0 ptp180 -136.02 125.14 24.45 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.338 0.589 . . . . 0.0 111.539 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.4 t -90.57 147.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.911 177.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.645 ' HE2' ' HA ' ' A' ' 5' ' ' LYS . 5.7 mmpt? -149.1 157.45 43.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.683 -177.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.59 152.25 91.61 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.111 177.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.445 ' HG3' ' HB2' ' A' ' 61' ' ' ARG . 23.4 Cg_exo -65.23 149.89 88.12 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.982 2.454 . . . . 0.0 111.556 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.75 170.92 15.26 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.547 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -69.92 158.2 36.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.87 0.367 . . . . 0.0 110.929 178.465 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.643 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -44.95 -39.29 5.36 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 115.609 1.707 . . . . 0.0 115.609 -172.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.401 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 70.0 t80 -62.13 -52.11 65.19 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.281 0.946 . . . . 0.0 111.658 -172.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 67.2 mtt -70.09 -34.31 72.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.464 0.649 . . . . 0.0 109.404 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.489 HG12 ' HB2' ' A' ' 56' ' ' GLU . 48.1 t -55.66 -50.54 66.64 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.687 0 CA-C-N 114.547 -1.206 . . . . 0.0 110.841 176.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.0 OUTLIER -65.63 -28.99 69.51 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.294 -178.008 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.1 m -63.62 -60.15 3.7 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 119.42 -0.912 . . . . 0.0 110.12 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -80.6 -39.3 27.76 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -176.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.63 -48.28 18.13 Favored Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.664 -174.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.502 ' OE1' ' HG3' ' A' ' 22' ' ' MET . 6.3 tp-100 -65.71 -37.47 86.5 Favored 'General case' 0 CA--C 1.519 -0.243 0 N-CA-C 108.925 -0.769 . . . . 0.0 108.925 179.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.2 ttm180 -56.46 -36.39 69.0 Favored 'General case' 0 CA--C 1.527 0.075 0 CA-C-O 120.991 0.424 . . . . 0.0 110.281 172.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.9 ttt180 -78.93 -56.38 4.44 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.635 -172.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.3 pttp -65.27 -30.46 71.33 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 118.952 -1.099 . . . . 0.0 110.839 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.502 ' HG3' ' OE1' ' A' ' 18' ' ' GLN . 37.8 mtt -68.13 -30.75 69.96 Favored 'General case' 0 C--O 1.218 -0.568 0 C-N-CA 120.912 -0.315 . . . . 0.0 110.901 174.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.39 -29.09 69.76 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.115 0.483 . . . . 0.0 110.424 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -83.14 -27.93 29.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.801 176.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -86.15 -49.16 7.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.122 0.487 . . . . 0.0 111.203 179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -142.96 87.13 8.94 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-O 121.369 0.604 . . . . 0.0 110.272 -178.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 23.8 Cg_endo -60.19 -4.52 3.13 Favored 'Trans proline' 0 N--CA 1.478 0.591 0 C-N-CA 123.998 3.132 . . . . 0.0 114.649 -170.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -76.32 -14.68 60.09 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.89 178.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.583 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.1 OUTLIER -82.44 125.59 31.24 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 170.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -135.06 -40.36 0.75 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 113.494 0.924 . . . . 0.0 113.494 -173.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -172.48 -73.69 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.901 1.074 . . . . 0.0 113.901 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 27.8 m -59.21 -48.78 80.36 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -169.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.513 ' CD ' ' H ' ' A' ' 33' ' ' GLU . 1.5 pm0 -62.75 -43.89 97.62 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.583 HD11 ' HB3' ' A' ' 29' ' ' MET . 65.4 mt -54.0 -40.27 44.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.561 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 m -67.45 -37.94 83.73 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.07 -174.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -77.54 -40.39 42.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.975 0.417 . . . . 0.0 110.498 -175.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 64.3 mtt180 -72.38 -47.08 52.17 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.451 -178.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.598 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 10.4 mp -62.95 -39.37 94.43 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.51 0.195 . . . . 0.0 111.352 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.16 -41.24 99.42 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 111.943 175.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 43' ' ' LYS . . . -70.8 -32.64 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.785 0.326 . . . . 0.0 110.841 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 35.1 mm-40 -70.55 -41.25 72.72 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.488 -0.323 . . . . 0.0 110.786 178.483 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.59 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 18.9 t-105 -58.94 -35.98 74.01 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.016 0.436 . . . . 0.0 110.413 175.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.403 ' HD3' ' HA ' ' A' ' 40' ' ' ALA . 22.6 mtpp -58.12 -28.83 65.01 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.201 179.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -114.69 16.05 17.51 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.389 179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.618 HD12 ' HB2' ' A' ' 49' ' ' GLU . 58.3 tp -63.15 114.87 4.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.896 -0.593 . . . . 0.0 112.544 -173.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.699 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.3 m -92.89 176.29 6.48 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 167.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.29 -27.46 62.47 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -174.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.9 t -73.19 -31.1 64.0 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.699 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.6 mp0 -77.99 -14.14 59.62 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 173.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 6.0 ttpm? -74.28 -17.04 60.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.941 0.401 . . . . 0.0 110.676 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.4 tpp180 -60.6 -55.95 39.95 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.614 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 27.6 Cg_endo -63.52 -20.74 70.2 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 121.501 1.467 . . . . 0.0 112.912 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.643 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 14.1 m-85 -57.45 -40.68 79.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.967 0.889 . . . . 0.0 109.287 171.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.565 HG22 ' HE2' ' A' ' 58' ' ' LYS . 40.3 mm -79.15 -31.16 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.862 0 CA-C-N 114.714 -1.13 . . . . 0.0 108.792 -173.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.76 -39.95 80.0 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.996 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 38.2 mm-40 -55.68 -41.76 74.19 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 171.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -63.45 -41.02 98.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.365 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.565 ' HE2' HG22 ' A' ' 54' ' ' ILE . 75.4 mmtt -56.87 -41.03 77.26 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.443 0.639 . . . . 0.0 109.364 176.579 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -68.52 -39.71 81.08 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.031 -0.986 . . . . 0.0 111.0 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 62.7 mt -58.41 -42.28 86.82 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.627 178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HB2' ' HG3' ' A' ' 7' ' ' PRO . 72.8 ttt180 -62.6 -43.6 98.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.453 -179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.55 -48.05 70.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.717 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.47 -27.07 69.03 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.46 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 49.4 t-80 -79.54 -26.4 41.44 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.487 179.123 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 48.1 ttm -86.42 -52.46 5.58 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.685 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -24.3 66.06 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -117.0 125.87 52.03 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.061 0.457 . . . . 0.0 111.134 -177.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -160.87 85.66 1.82 Allowed Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.364 -0.835 . . . . 0.0 109.881 -179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.11 -58.39 0.06 OUTLIER 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.339 2.026 . . . . 0.0 112.609 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -115.26 -22.49 9.38 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 30.4 p90 -171.9 169.05 5.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.762 -173.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 mttp -106.48 167.43 9.85 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 170.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -48.69 111.03 0.41 Allowed 'General case' 0 C--O 1.234 0.279 0 O-C-N 123.609 0.568 . . . . 0.0 112.041 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.925 ' HA ' ' HD2' ' A' ' 3' ' ' ARG . 6.4 ptm180 -75.2 155.12 86.28 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.792 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.4 140.23 29.97 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.343 2.028 . . . . 0.0 112.493 177.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -83.9 -26.71 29.14 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.266 176.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 68.08 -179.79 0.23 Allowed 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.595 -174.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 78' ' ' LYS . 59.9 mmtt 62.69 11.08 4.59 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.172 0.51 . . . . 0.0 111.095 -172.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.3 m -95.06 91.22 6.24 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -175.9 -44.02 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -171.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.3 p . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.788 -1.097 . . . . 0.0 110.574 -179.57 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.5 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 110.583 -0.155 . . . . 0.0 110.583 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.59 106.59 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 O-C-N 123.894 0.746 . . . . 0.0 110.128 -173.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.606 ' H ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -87.27 128.38 35.17 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.733 -174.709 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.561 ' C ' ' HG2' ' A' ' 5' ' ' LYS . 21.4 t 66.38 149.09 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 114.899 -1.046 . . . . 0.0 112.81 173.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.561 ' HG2' ' C ' ' A' ' 4' ' ' VAL . 0.1 OUTLIER -146.43 97.62 2.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.797 177.494 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.7 ptt180 -110.32 158.88 34.05 Favored Pre-proline 0 C--N 1.322 -0.602 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_exo -65.2 100.78 0.39 Allowed 'Trans proline' 0 N--CA 1.464 -0.26 0 C-N-CA 122.178 1.919 . . . . 0.0 110.762 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.891 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.3 OUTLIER -102.55 172.55 6.8 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.206 -173.674 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -52.5 148.19 7.29 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.309 0.576 . . . . 0.0 110.959 174.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.636 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.85 -42.09 25.66 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 114.528 1.307 . . . . 0.0 114.528 -170.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.408 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 65.7 t80 -58.01 -47.74 82.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 118.001 0.364 . . . . 0.0 111.885 -174.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.891 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 64.9 mtt -66.45 -38.88 88.33 Favored 'General case' 0 C--O 1.236 0.372 0 CA-C-O 121.304 0.573 . . . . 0.0 109.622 179.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.453 HG23 ' HG2' ' A' ' 8' ' ' MET . 92.8 t -57.78 -46.16 87.05 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.512 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.501 177.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.603 ' O ' ' HB3' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -68.45 -27.19 65.95 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.579 -178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 35.4 t -67.15 -61.55 1.87 Allowed 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 119.539 -0.864 . . . . 0.0 109.905 178.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ptp180 -80.77 -33.0 35.3 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.5 -0.48 . . . . 0.0 111.751 -175.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.459 ' O ' ' HB3' ' A' ' 20' ' ' ARG . . . -81.45 -41.59 9.9 Favored Glycine 0 N--CA 1.446 -0.699 0 CA-C-N 116.142 -0.481 . . . . 0.0 113.262 -175.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.603 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 7.9 tp-100 -68.91 -39.59 79.58 Favored 'General case' 0 CA--C 1.517 -0.322 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 66.8 mtm180 -63.06 -31.93 73.18 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 120.107 -0.637 . . . . 0.0 109.998 171.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.479 ' HD3' ' N ' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -64.83 -57.7 8.17 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.25 175.095 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -62.22 -33.99 75.63 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 120.927 -0.309 . . . . 0.0 111.23 -177.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.7 mtt -69.03 -31.41 70.19 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-O 120.487 0.184 . . . . 0.0 110.967 176.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.02 -24.74 63.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.998 0.428 . . . . 0.0 110.365 176.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' HA ' HE21 ' A' ' 24' ' ' GLN . 0.1 OUTLIER -80.17 -31.2 38.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.236 177.199 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -89.24 -49.07 6.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.728 -176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -147.87 87.24 5.91 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 121.432 0.634 . . . . 0.0 110.931 -177.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.88 -4.5 13.53 Favored 'Trans proline' 0 CA--C 1.529 0.238 0 C-N-CA 123.195 2.597 . . . . 0.0 113.857 -174.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -81.73 -2.83 51.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.257 0.551 . . . . 0.0 111.089 -176.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.454 ' HB3' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -85.72 122.72 30.21 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 175.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -84.2 16.22 3.11 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -167.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.559 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.0 OUTLIER 75.05 -37.16 0.34 Allowed 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 169.479 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -48.02 82.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.621 0.248 . . . . 0.0 111.266 -178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 37' ' ' ARG . 0.0 OUTLIER -73.1 -30.74 63.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.916 0.388 . . . . 0.0 110.163 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.559 HD12 ' HA ' ' A' ' 31' ' ' ASN . 70.8 mt -56.39 -36.83 48.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.201 173.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.2 m -63.82 -34.09 77.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.745 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -72.71 -40.24 66.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.235 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.475 ' HG3' ' O ' ' A' ' 33' ' ' GLU . 44.3 mtt180 -59.76 -53.35 58.94 Favored 'General case' 0 CA--C 1.521 -0.143 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.645 178.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.3 mp -58.17 -42.34 85.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.546 -177.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.655 ' O ' ' HG3' ' A' ' 43' ' ' LYS . . . -59.0 -45.81 94.65 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.837 177.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.21 -32.92 72.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.644 0.259 . . . . 0.0 111.348 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.43 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 14.5 mm-40 -69.28 -40.53 77.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.616 -0.265 . . . . 0.0 110.473 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.569 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.9 t-105 -62.93 -36.74 84.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.913 178.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.655 ' HG3' ' O ' ' A' ' 39' ' ' GLY . 55.7 mttm -62.26 -26.06 68.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.85 0.357 . . . . 0.0 111.209 -179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.37 27.8 8.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.568 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 44.9 tp -77.49 116.66 18.25 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.1 m -93.23 168.13 11.29 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.712 166.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -66.06 -30.02 70.46 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.633 0.254 . . . . 0.0 111.187 -178.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.5 t -57.02 -41.44 78.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.08 0.467 . . . . 0.0 110.755 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.8 mm-40 -85.93 -11.65 52.58 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.543 -177.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.553 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 39.5 ttmt -69.1 -13.37 62.39 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.707 175.309 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.404 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 5.2 tpt180 -54.15 -54.4 48.05 Favored Pre-proline 0 CA--C 1.541 0.598 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 -175.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.48 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 19.4 Cg_endo -61.42 -21.31 71.53 Favored 'Trans proline' 0 C--N 1.356 0.927 0 C-N-CA 121.919 1.746 . . . . 0.0 113.228 -178.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.636 ' CD2' ' HB1' ' A' ' 10' ' ' ALA . 46.1 m-85 -59.16 -33.74 71.27 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 173.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.425 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 42.2 mm -82.17 -33.16 11.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.727 -178.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -65.02 -50.63 65.51 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.114 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.74 -42.7 79.75 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.937 173.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.19 -37.94 87.24 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.606 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 58.8 mtmt -64.03 -34.48 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.956 179.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.473 ' HG2' ' CZ ' ' A' ' 20' ' ' ARG . 6.4 mpt_? -66.17 -43.56 86.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.647 174.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.2 mt -58.74 -39.96 82.43 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.671 178.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -57.56 -55.18 38.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.782 177.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.31 -44.4 88.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.926 -176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 90.7 mt -61.39 -34.59 75.6 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.368 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -78.99 -43.42 24.42 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.756 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 83.5 mtp -73.34 -26.78 61.17 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.134 0.42 . . . . 0.0 112.134 -174.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -76.36 -15.47 59.95 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.63 -0.428 . . . . 0.0 111.3 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.419 ' HA ' ' OE1' ' A' ' 67' ' ' GLU . 7.2 mm-40 61.2 -163.07 0.26 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.561 -176.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.401 ' NE2' ' HB3' ' A' ' 70' ' ' ASP . 30.0 t60 66.88 82.33 0.2 Allowed Pre-proline 0 N--CA 1.469 0.494 0 CA-C-O 121.239 0.542 . . . . 0.0 110.72 179.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.563 ' HA ' ' HE2' ' A' ' 72' ' ' LYS . 31.3 Cg_exo -63.26 -16.88 57.29 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 123.371 2.714 . . . . 0.0 113.564 -178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.401 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . 2.9 t70 -67.11 -16.47 64.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.897 -176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -126.85 45.04 2.77 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.459 -0.496 . . . . 0.0 111.996 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.563 ' HE2' ' HA ' ' A' ' 69' ' ' PRO . 52.1 pttt -164.54 23.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.868 174.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -115.93 113.72 23.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.902 177.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.425 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 0.0 OUTLIER -117.24 144.76 34.44 Favored Pre-proline 0 C--N 1.323 -0.584 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 172.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 16.9 Cg_exo -67.13 94.56 0.35 Allowed 'Trans proline' 0 N--CA 1.464 -0.225 0 C-N-CA 122.628 2.218 . . . . 0.0 113.576 -174.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -83.58 -42.88 16.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 107.155 -1.424 . . . . 0.0 107.155 167.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -174.07 138.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.246 -1.343 . . . . 0.0 107.661 171.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -72.93 91.29 1.53 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.459 0.647 . . . . 0.0 110.897 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.6 m -96.76 103.23 15.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.342 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -64.09 -38.8 92.37 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.253 1.248 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.361 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 69.5 m . . . . . 0 N--CA 1.475 0.777 0 N-CA-C 110.708 -0.108 . . . . 0.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 64.1 94.51 0.05 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.673 0.608 . . . . 0.0 111.168 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -83.91 157.69 21.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.797 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.9 m 52.34 105.57 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 124.959 1.304 . . . . 0.0 112.923 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 69.4 mmtt -83.88 116.73 22.9 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.31 -176.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -109.84 166.12 11.37 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-N 114.701 -1.136 . . . . 0.0 110.062 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -50.89 146.36 21.64 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.628 2.219 . . . . 0.0 112.174 173.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.0 tpt -139.67 172.2 13.13 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.979 -0.749 . . . . 0.0 108.979 -172.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -50.1 150.27 2.45 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.038 0.447 . . . . 0.0 111.566 177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -47.17 -44.89 22.42 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.463 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 80.4 t80 -56.55 -48.15 77.93 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 118.369 0.531 . . . . 0.0 110.791 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 23.0 mmt -65.69 -37.84 87.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.98 0.419 . . . . 0.0 109.983 178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -57.95 -42.2 81.95 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.513 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.179 176.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.741 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -70.53 -27.87 64.49 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 120.257 -0.577 . . . . 0.0 110.594 -179.384 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 14.6 m -68.09 -58.98 3.61 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.178 -0.609 . . . . 0.0 109.633 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' MET . 11.1 ptp180 -78.03 -33.58 51.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.619 -174.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -81.95 -44.02 7.9 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 116.002 -0.545 . . . . 0.0 113.204 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.741 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 0.3 OUTLIER -66.17 -40.42 90.46 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-N 117.515 0.658 . . . . 0.0 109.405 178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 19' ' ' ARG . 3.0 tmm_? -63.94 -32.04 73.44 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 175.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 25.6 tpt180 -69.09 -58.01 4.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.372 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HD2' ' CD ' ' A' ' 56' ' ' GLU . 20.0 ptmt -54.37 -40.2 67.91 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.656 0.265 . . . . 0.0 111.117 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 47.6 ttm -73.27 -32.88 64.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.741 -0.209 . . . . 0.0 111.176 -177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.97 -35.99 82.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.35 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -82.54 -27.99 31.3 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.416 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -80.03 -49.57 11.61 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.858 0.361 . . . . 0.0 111.075 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -163.63 86.39 1.26 Allowed Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 -175.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_endo -74.71 65.31 5.79 Favored 'Trans proline' 0 CA--C 1.531 0.363 0 C-N-CA 123.087 2.524 . . . . 0.0 112.873 -175.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -98.35 -28.2 13.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.105 0.479 . . . . 0.0 110.283 178.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 68.2 mtm -116.48 138.84 51.07 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 177.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -115.84 -30.11 6.19 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.792 HD22 ' N ' ' A' ' 32' ' ' SER . 0.4 OUTLIER -168.6 -42.47 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 178.609 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.792 ' N ' HD22 ' A' ' 31' ' ' ASN . 2.1 p -74.16 -49.0 25.53 Favored 'General case' 0 C--N 1.322 -0.605 0 O-C-N 121.887 -0.508 . . . . 0.0 111.026 -172.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -62.62 -40.62 97.55 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.218 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 40.9 mm -54.65 -42.63 61.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.141 177.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.9 m -70.49 -34.09 71.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.922 -175.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -77.38 -47.84 18.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.357 -174.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 84.7 mtt85 -74.18 -38.82 63.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.771 -175.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 10.6 mp -68.79 -36.8 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.827 179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.17 -37.92 94.75 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.551 174.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.35 -37.22 80.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.743 0.306 . . . . 0.0 110.572 177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.429 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 40.6 mm-40 -68.08 -32.51 72.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.275 178.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 23.4 t-105 -65.69 -34.72 78.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.506 176.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 56.5 mtmt -76.02 -8.53 57.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.374 0.606 . . . . 0.0 111.039 178.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -117.32 17.64 14.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.74 175.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 49' ' ' GLU . 50.3 tp -60.56 110.52 1.3 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.798 -0.637 . . . . 0.0 112.397 -170.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.414 ' HB2' ' OG1' ' A' ' 48' ' ' THR . 1.5 m -95.66 -178.83 4.53 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 168.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -71.68 -27.42 63.03 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 172.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 46' ' ' SER . 4.6 p -59.72 -38.9 82.95 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.595 174.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.501 ' HB2' HD12 ' A' ' 45' ' ' LEU . 2.2 mp0 -77.41 -20.24 54.91 Favored 'General case' 0 C--O 1.221 -0.406 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.855 179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 81.4 mttt -72.72 -23.26 60.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.975 0.417 . . . . 0.0 111.098 178.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.532 HH11 ' HB2' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -60.14 -53.21 67.29 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.748 -178.005 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.04 -26.16 73.67 Favored 'Trans proline' 0 C--N 1.352 0.733 0 C-N-CA 121.582 1.522 . . . . 0.0 113.738 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 55.0 m-85 -57.46 -38.23 74.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.927 0.87 . . . . 0.0 109.215 174.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.3 mm -82.86 -32.34 9.76 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.912 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.931 -172.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.628 ' O ' ' HG2' ' A' ' 59' ' ' ARG . 9.1 t70 -72.72 -51.15 20.44 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.462 179.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' CD ' ' HD2' ' A' ' 21' ' ' LYS . 0.4 OUTLIER -53.98 -36.57 63.06 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 123.486 0.492 . . . . 0.0 110.575 177.533 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -60.93 -45.76 93.4 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 175.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -68.09 -34.35 76.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.443 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.628 ' HG2' ' O ' ' A' ' 55' ' ' ASP . 23.7 mmm-85 -57.61 -43.67 84.88 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 71.2 mt -68.87 -38.47 79.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.402 179.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 65' ' ' MET . 24.4 tpt180 -60.78 -47.45 86.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.436 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.94 -48.2 79.91 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.349 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -60.52 -35.46 76.03 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.624 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -79.13 -27.82 42.86 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 119.643 -0.823 . . . . 0.0 110.412 -178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.424 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.4 mtm -71.26 -20.11 62.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.977 0.418 . . . . 0.0 110.335 176.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -75.95 -1.15 24.21 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.187 175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -105.67 110.34 22.62 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 175.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -158.39 77.6 3.36 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -172.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -79.5 -50.73 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.642 2.228 . . . . 0.0 112.619 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.561 ' OD1' ' HG3' ' A' ' 72' ' ' LYS . 1.1 p30 -94.57 -16.35 23.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.107 -174.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.417 ' HD1' ' HE1' ' A' ' 73' ' ' TYR . 98.5 m-85 62.38 56.37 2.13 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.349 0.405 . . . . 0.0 111.902 176.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.561 ' HG3' ' OD1' ' A' ' 70' ' ' ASP . 37.3 mtmm -80.33 13.03 2.58 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.333 177.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' HE1' ' HD1' ' A' ' 71' ' ' TYR . 11.1 p90 -106.14 119.76 40.07 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.367 0.603 . . . . 0.0 110.345 -178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 66.9 mtp180 -116.92 142.38 29.74 Favored Pre-proline 0 C--N 1.318 -0.778 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 168.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 15.2 Cg_exo -70.1 -36.61 9.6 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.643 2.229 . . . . 0.0 112.518 -178.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 65.22 113.65 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.398 -176.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -79.62 87.28 5.18 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.807 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -74.6 114.48 13.06 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 176.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 21.2 p -86.69 171.72 10.74 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.834 -178.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.7 tptm -83.26 105.11 13.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.25 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 C--O 1.246 0.887 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.46 -179.463 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.9 m . . . . . 0 N--CA 1.48 1.035 0 CA-C-O 120.818 0.342 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -131.53 105.15 7.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 0.0 111.674 -176.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -90.56 179.77 5.76 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 169.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.3 m -67.6 104.45 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.836 0.827 . . . . 0.0 111.568 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 43.7 mtmt -108.16 98.08 7.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.094 178.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.4 ttt-85 -104.54 145.62 31.03 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.465 -171.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -61.46 172.44 3.45 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.672 2.248 . . . . 0.0 111.843 169.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 tpt -147.46 170.47 17.34 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.782 -0.821 . . . . 0.0 108.782 -174.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.532 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -59.22 156.66 11.96 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 120.747 0.308 . . . . 0.0 110.71 175.065 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.479 ' HB1' ' CD2' ' A' ' 53' ' ' PHE . . . -45.61 -45.4 13.76 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.801 1.408 . . . . 0.0 114.801 -174.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -57.35 -51.94 67.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 118.276 0.489 . . . . 0.0 111.997 -172.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -70.69 -33.98 71.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.965 0.412 . . . . 0.0 110.113 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 9' ' ' ASN . 75.1 t -56.19 -49.65 75.05 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.659 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.481 176.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.624 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.54 -29.65 70.3 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.345 -177.384 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 20.0 m -69.12 -57.22 5.69 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.666 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 39.7 ptt180 -77.58 -25.89 50.33 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.143 0.496 . . . . 0.0 110.856 -177.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.58 -48.17 10.99 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.719 -0.673 . . . . 0.0 112.406 -178.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 76.4 mm-40 -67.21 -30.72 70.73 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 117.135 0.467 . . . . 0.0 110.561 178.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.03 -48.87 75.16 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 174.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.436 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 41.7 ttt180 -66.71 -54.48 22.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.628 175.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -54.63 -52.65 61.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.828 -173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 65.7 mtt -64.69 -40.67 95.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.812 -0.177 . . . . 0.0 110.838 -178.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 27' ' ' PRO . . . -66.56 -29.36 69.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.643 0.259 . . . . 0.0 111.355 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 27.5 mm-40 -83.2 -20.94 33.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.771 0.319 . . . . 0.0 111.329 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -97.41 -42.95 7.5 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.753 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.535 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -164.38 88.7 1.09 Allowed Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.2 0.524 . . . . 0.0 110.789 -176.198 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.476 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 10.2 Cg_exo -68.95 64.73 1.34 Allowed 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 123.062 2.508 . . . . 0.0 112.859 -176.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -92.56 -26.8 17.73 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.044 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.0 mtm -119.17 152.08 37.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.635 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 -115.68 -58.54 2.11 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.951 -0.3 . . . . 0.0 111.636 -176.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -139.21 -73.95 0.38 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.519 -0.472 . . . . 0.0 112.257 -171.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.4 p -60.77 -44.55 96.63 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -170.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -60.39 -44.35 95.74 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.143 0.497 . . . . 0.0 110.227 -177.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.451 ' O ' HD13 ' A' ' 38' ' ' LEU . 60.4 mt -59.64 -36.21 64.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.239 178.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 m -67.55 -37.78 83.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.502 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -70.69 -48.42 54.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.772 -177.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 44.2 mtt180 -62.35 -51.25 68.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.222 -178.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.624 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 10.4 mp -58.69 -38.46 78.3 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 -175.499 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.3 -45.38 93.62 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 120.346 -0.931 . . . . 0.0 112.013 176.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.36 -34.65 76.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.351 . . . . 0.0 111.18 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.545 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.7 mm-40 -67.08 -39.3 86.78 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.52 179.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 23.2 t-105 -62.58 -36.69 83.5 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.958 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -68.2 -22.85 64.78 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.71 23.28 11.82 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.162 0.506 . . . . 0.0 110.195 177.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.46 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 52.9 tp -73.56 136.61 44.02 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.558 -174.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 13.3 p -91.34 149.59 21.67 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 172.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -22.34 61.63 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.662 0.267 . . . . 0.0 111.161 -175.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 15.1 t -72.94 -34.05 66.32 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.38 175.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.651 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 32.2 mm-40 -79.84 -12.13 59.78 Favored 'General case' 0 C--O 1.227 -0.109 0 CA-C-O 120.906 0.384 . . . . 0.0 110.563 177.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 31.5 ttmt -62.72 -27.77 69.49 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.035 172.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -52.55 68.54 Favored Pre-proline 0 CA--C 1.54 0.589 0 CA-C-N 115.94 -0.573 . . . . 0.0 112.502 -177.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.651 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 46.5 Cg_exo -58.05 -17.09 29.74 Favored 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.335 2.023 . . . . 0.0 114.023 178.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 21.7 m-85 -58.6 -40.06 82.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.92 0.867 . . . . 0.0 109.121 170.001 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 46.0 mm -77.4 -31.11 17.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 114.729 -1.123 . . . . 0.0 108.46 -176.373 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.816 ' HA ' ' HD2' ' A' ' 58' ' ' LYS . 33.9 t70 -66.12 -44.45 84.25 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.001 178.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.427 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -59.63 -34.23 72.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 109.823 174.222 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -66.31 -36.08 82.02 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.937 175.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.816 ' HD2' ' HA ' ' A' ' 55' ' ' ASP . 48.2 mttm -60.69 -39.32 88.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.225 0.536 . . . . 0.0 109.874 176.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 56.7 mtt180 -69.21 -34.31 74.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.981 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.4 mt -66.26 -36.25 82.51 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.179 0.514 . . . . 0.0 109.911 174.183 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 74.0 ttt180 -62.55 -42.15 99.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.399 175.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.2 -42.87 99.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.632 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.06 -24.41 67.46 Favored 'General case' 0 CA--C 1.512 -0.503 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.279 178.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -78.35 -32.18 48.95 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.581 -0.447 . . . . 0.0 110.842 178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 69.7 mtm -80.76 -28.33 36.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.014 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -101.16 -61.11 1.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 57.68 167.88 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.571 0 O-C-N 123.94 0.775 . . . . 0.0 110.782 -168.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -143.41 147.28 39.33 Favored Pre-proline 0 C--N 1.321 -0.664 0 O-C-N 121.901 -0.499 . . . . 0.0 110.039 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -58.06 -21.65 51.7 Favored 'Trans proline' 0 CA--C 1.531 0.339 0 C-N-CA 123.216 2.611 . . . . 0.0 113.381 -176.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.69 20.6 1.72 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -61.22 144.45 53.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.446 0.641 . . . . 0.0 110.98 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -138.92 -163.43 1.47 Allowed 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.9 -178.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -49.53 111.28 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.708 0.766 . . . . 0.0 110.84 -178.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 74' ' ' ARG . 23.6 mmm-85 -99.21 143.08 25.74 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.339 178.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -78.18 90.38 1.27 Allowed 'Trans proline' 0 N--CA 1.46 -0.471 0 C-N-CA 122.295 1.997 . . . . 0.0 111.657 174.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -91.81 151.36 20.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.648 -178.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.552 ' O ' ' HG2' ' A' ' 78' ' ' LYS . 0.0 OUTLIER -161.65 116.12 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 175.439 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 77' ' ' ARG . 4.8 ptmm? 66.91 158.64 0.13 Allowed 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.68 1.192 . . . . 0.0 112.169 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.448 ' O ' ' HG3' ' A' ' 78' ' ' LYS . 4.9 p -80.58 173.77 12.28 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.278 -0.874 . . . . 0.0 110.833 177.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -58.09 -48.72 79.31 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 C--O 1.249 1.043 0 CA-C-N 115.255 -0.884 . . . . 0.0 109.553 176.327 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 N--CA 1.475 0.792 0 CA-C-O 121.199 0.523 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -101.02 100.76 11.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.159 0.504 . . . . 0.0 110.881 -175.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.1 ptp180 -135.96 156.54 48.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.531 -0.758 . . . . 0.0 109.209 172.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.6 t -69.56 148.45 11.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.928 0.394 . . . . 0.0 111.181 -174.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.46 132.95 55.46 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 177.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -110.11 147.18 35.73 Favored Pre-proline 0 C--N 1.324 -0.515 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.258 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_exo -72.29 143.15 38.76 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 123.095 2.53 . . . . 0.0 111.327 174.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.486 ' SD ' ' HG2' ' A' ' 12' ' ' MET . 11.9 ttt -148.77 170.65 17.73 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 -177.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.459 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.1 p-10 -61.3 158.14 14.98 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-O 121.116 0.484 . . . . 0.0 111.921 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.658 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.59 -40.53 8.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 115.145 1.535 . . . . 0.0 115.145 -174.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 81.6 t80 -55.71 -50.98 68.87 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 119.016 0.826 . . . . 0.0 111.309 -177.383 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.695 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 1.8 mpt? -69.41 -36.83 77.1 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 178.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.496 ' HB ' ' HA ' ' A' ' 10' ' ' ALA . 53.9 t -52.36 -53.99 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.296 178.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 2.1 t90 -65.41 -29.94 70.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.082 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.471 ' HA ' HD23 ' A' ' 38' ' ' LEU . 46.7 t -59.68 -59.58 5.2 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.315 179.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.695 ' HD3' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -79.85 -26.3 40.43 Favored 'General case' 0 N--CA 1.463 0.193 0 C-N-CA 119.837 -0.745 . . . . 0.0 111.571 -179.537 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.601 ' HA2' ' NH1' ' A' ' 20' ' ' ARG . . . -76.73 -42.39 21.3 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 121.277 -0.487 . . . . 0.0 113.128 -176.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HA ' ' OE1' ' A' ' 18' ' ' GLN . 5.7 tp60 -77.48 -37.0 52.24 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HD2' ' HB2' ' A' ' 31' ' ' ASN . 21.2 ttp180 -65.81 -33.29 75.52 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.859 177.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.601 ' NH1' ' HA2' ' A' ' 17' ' ' GLY . 8.8 mtp-105 -58.85 -57.48 12.87 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.98 175.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 ptpp? -69.47 -29.93 67.7 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.945 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 54.7 tpp -57.58 -45.88 84.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.751 0.31 . . . . 0.0 110.41 177.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.08 -37.96 89.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.714 178.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -66.79 -45.16 79.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.723 177.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -68.53 -49.08 62.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.823 -177.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.568 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.23 86.4 1.94 Allowed Pre-proline 0 CA--C 1.534 0.335 0 CA-C-O 121.556 0.693 . . . . 0.0 111.994 -171.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -79.54 63.95 8.79 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.493 2.129 . . . . 0.0 112.463 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HE3' ' HB2' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -100.69 -19.04 16.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.905 0.383 . . . . 0.0 110.206 176.125 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.0 ptp -121.43 163.69 18.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.84 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -99.35 -174.0 2.62 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.933 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' HD2' ' A' ' 19' ' ' ARG . 4.9 p30 -76.93 -27.82 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -171.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -68.51 -47.9 65.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.751 0.31 . . . . 0.0 111.455 -173.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.8 pm0 -68.13 -35.96 78.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.539 -178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 74.8 mt -58.29 -34.79 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.997 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.7 m -66.87 -36.99 83.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.577 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -73.68 -37.19 65.31 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.679 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 43.1 mtt180 -61.67 -54.47 42.29 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.573 176.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 7.6 mp -56.5 -36.54 69.26 Favored 'General case' 0 C--N 1.33 -0.259 0 O-C-N 123.473 0.483 . . . . 0.0 111.996 -176.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.46 -45.29 96.69 Favored Glycine 0 C--O 1.237 0.329 0 C-N-CA 120.444 -0.884 . . . . 0.0 111.856 175.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.39 -36.48 76.82 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.625 0.25 . . . . 0.0 110.813 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.679 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.6 mm-40 -66.5 -32.38 73.69 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 179.108 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.557 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 19.1 t-105 -63.74 -36.45 83.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.44 174.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.421 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.6 mmtt -65.18 -22.77 66.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.664 177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.1 mp -115.03 19.23 15.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.988 0.423 . . . . 0.0 110.5 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.557 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 3.3 tm? -74.64 116.18 15.05 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.81 -174.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 50.8 m -91.95 148.26 22.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.485 170.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -58.8 -23.82 60.93 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.938 0.718 . . . . 0.0 112.938 -175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -62.54 -34.92 77.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.102 0.477 . . . . 0.0 110.387 173.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.685 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 43.6 mm-40 -87.82 -13.9 40.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.015 0.436 . . . . 0.0 110.089 178.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 38.5 ttmt -71.64 -15.01 62.23 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.479 171.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.617 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 19.2 tpt180 -60.88 -51.89 76.21 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.794 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.685 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 17.1 Cg_exo -67.14 -12.8 37.39 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 121.561 1.508 . . . . 0.0 113.156 178.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.713 ' CD1' ' HA ' ' A' ' 50' ' ' LYS . 16.9 m-85 -58.83 -43.49 90.68 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.621 0.724 . . . . 0.0 109.22 171.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.5 mm -82.37 -32.45 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.176 -0.92 . . . . 0.0 108.758 -175.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.633 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 22.7 t70 -59.47 -50.73 72.82 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.19 177.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -62.93 -35.34 79.78 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.76 176.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.45 -42.5 87.53 Favored 'General case' 0 CA--C 1.524 -0.053 0 CA-C-O 120.747 0.308 . . . . 0.0 110.632 177.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -67.73 -35.21 78.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 176.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.7 ttm105 -67.97 -49.31 62.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.424 -176.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 61' ' ' ARG . 4.1 pp -70.59 -27.85 64.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.025 0.441 . . . . 0.0 110.474 178.75 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.412 ' N ' HD12 ' A' ' 60' ' ' LEU . 76.2 ttt180 -68.2 -42.54 79.73 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.776 175.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.619 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -63.5 -40.09 96.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.595 177.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.0 mt -64.28 -32.94 74.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.206 177.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -82.35 -24.2 34.65 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.59 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.619 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 16.5 ptp -82.67 -18.27 41.59 Favored 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.966 -178.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -82.46 3.34 28.62 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.448 0.642 . . . . 0.0 109.681 171.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.474 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.8 tm-20 -114.6 149.1 37.1 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 -179.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' HB2' ' O ' ' A' ' 67' ' ' GLU . 32.1 m170 75.13 144.42 0.1 Allowed Pre-proline 0 N--CA 1.474 0.774 0 C-N-CA 123.534 0.734 . . . . 0.0 110.89 -171.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 4.4 Cg_exo -75.16 137.29 21.18 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.703 2.269 . . . . 0.0 111.851 177.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -76.15 -22.85 54.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.073 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 77.4 t80 72.95 153.09 0.13 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.592 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -168.33 -173.67 2.05 Favored 'General case' 0 CA--C 1.512 -0.515 0 CA-C-N 115.223 -0.899 . . . . 0.0 108.708 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.6 m-85 -65.51 110.05 2.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 122.072 0.939 . . . . 0.0 111.061 -175.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.7 ptt180 -83.83 164.97 42.04 Favored Pre-proline 0 C--N 1.318 -0.786 0 CA-C-N 113.911 -1.495 . . . . 0.0 111.117 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.18 -164.62 0.28 Allowed 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.732 2.288 . . . . 0.0 110.312 166.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.8 ptt85 -62.28 -46.24 89.64 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.82 -0.352 . . . . 0.0 111.172 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.814 ' HG3' ' H ' ' A' ' 78' ' ' LYS . 2.7 tpt180 54.73 -163.42 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 122.504 0.322 . . . . 0.0 110.251 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.814 ' H ' ' HG3' ' A' ' 77' ' ' ARG . 73.8 mmtt -100.4 33.55 2.66 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.103 -0.373 . . . . 0.0 110.706 178.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 47.7 p 66.43 -37.18 0.27 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.981 1.312 . . . . 0.0 113.247 178.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -79.17 93.86 5.28 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 25.8 m . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.95 -1.024 . . . . 0.0 111.134 -176.787 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 120.777 0.322 . . . . 0.0 110.267 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -103.69 129.43 51.02 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.407 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.8 mtt-85 -122.43 162.3 21.91 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.155 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -65.15 144.88 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.036 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.9 mttp -117.72 97.09 5.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.368 -174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.4 ptt180 -111.23 152.52 43.86 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.138 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.78 139.62 91.58 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.863 2.376 . . . . 0.0 111.798 175.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.463 ' HB3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -148.33 171.58 15.76 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.047 -0.723 . . . . 0.0 109.047 -176.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.54 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -63.87 164.56 10.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 176.013 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.37 -37.94 5.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.907 1.447 . . . . 0.0 114.907 -173.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -59.98 -50.6 73.1 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.75 0.705 . . . . 0.0 111.399 -175.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.463 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 24.9 mmt -70.77 -36.7 73.2 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.047 0.451 . . . . 0.0 109.84 179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.538 HG11 ' O ' ' A' ' 53' ' ' PHE . 85.4 t -53.48 -52.94 28.01 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.759 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.696 177.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.497 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 0.7 OUTLIER -69.58 -28.62 66.12 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 120.424 -0.51 . . . . 0.0 110.28 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.446 ' HA ' HD23 ' A' ' 38' ' ' LEU . 56.8 m -66.71 -61.67 1.85 Allowed 'General case' 0 C--O 1.239 0.503 0 C-N-CA 119.585 -0.846 . . . . 0.0 110.27 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.442 HH11 ' HD3' ' A' ' 16' ' ' ARG . 9.4 ptt180 -82.08 -23.46 35.75 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.187 -177.282 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.61 -47.1 6.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.472 -0.395 . . . . 0.0 112.369 -178.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.555 ' HB3' HD21 ' A' ' 38' ' ' LEU . 7.4 tp60 -61.05 -43.1 99.39 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 176.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 1.8 tmt_? -59.4 -39.36 83.16 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 120.968 0.414 . . . . 0.0 110.18 175.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 tpt85 -64.79 -52.41 57.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.101 -177.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.509 ' HD3' ' OE1' ' A' ' 18' ' ' GLN . 19.4 ptmt -67.77 -36.08 79.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.226 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 16.1 mmt -57.18 -41.11 78.65 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.52 91.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.01 -0.541 . . . . 0.0 112.31 -177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 4.2 pt20 -83.14 -32.34 26.71 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.113 -0.635 . . . . 0.0 111.347 -178.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -84.38 -41.83 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.111 0.411 . . . . 0.0 112.111 -176.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.82 78.76 2.37 Favored Pre-proline 0 N--CA 1.466 0.332 0 CA-C-O 121.057 0.456 . . . . 0.0 111.188 -175.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_endo -81.32 62.84 8.54 Favored 'Trans proline' 0 CA--C 1.53 0.304 0 C-N-CA 122.476 2.117 . . . . 0.0 114.238 -172.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.9 pttm -105.51 -1.28 25.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.072 0.463 . . . . 0.0 110.885 171.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 36.8 mtm -109.43 144.91 37.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.904 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -89.56 -79.46 0.33 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.189 -174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -169.95 -42.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.735 0.303 . . . . 0.0 111.184 -172.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.6 m -69.29 -46.28 67.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.778 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -66.31 -37.96 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.428 ' O ' HD13 ' A' ' 38' ' ' LEU . 29.6 mm -51.91 -44.57 38.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.193 171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.5 m -69.1 -31.78 70.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.182 -176.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 27.1 mttm -73.22 -51.31 18.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.137 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.649 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 99.6 mtt180 -65.57 -48.53 72.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.886 -177.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.555 HD21 ' HB3' ' A' ' 18' ' ' GLN . 8.6 mp -56.92 -46.2 82.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -61.14 -39.97 97.89 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.291 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.23 -34.59 78.37 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.727 0.299 . . . . 0.0 110.691 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.649 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.3 mm-40 -72.37 -37.85 68.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -59.96 -35.51 75.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.394 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.8 mttp -58.96 -25.53 63.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.901 0.381 . . . . 0.0 111.244 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.6 mp -109.38 17.51 21.4 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.741 -178.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 60.9 tp -63.65 115.49 4.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.297 -0.41 . . . . 0.0 112.044 -176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 48.2 m -91.5 147.28 23.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.468 170.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.905 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 16.4 tt0 -63.29 -26.31 68.71 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -175.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.1 t -63.31 -29.96 71.18 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.301 0.572 . . . . 0.0 110.298 175.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.58 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 18.9 mm-40 -84.39 -10.38 57.61 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.523 -179.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.905 ' HD2' ' HG3' ' A' ' 47' ' ' GLU . 95.7 mttt -62.29 -19.34 63.16 Favored 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -54.38 -58.62 13.08 Favored Pre-proline 0 CA--C 1.542 0.647 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 -175.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.58 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.7 Cg_endo -63.44 -26.76 70.57 Favored 'Trans proline' 0 C--N 1.351 0.67 0 C-N-CA 121.475 1.45 . . . . 0.0 112.918 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.538 ' O ' HG11 ' A' ' 13' ' ' VAL . 46.7 m-85 -58.97 -37.63 77.23 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.677 0.751 . . . . 0.0 109.748 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 50' ' ' LYS . 51.6 mm -81.88 -32.72 11.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.045 -173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -46.13 64.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.03 -178.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 77.8 mm-40 -62.54 -32.65 73.64 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 175.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.531 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -60.47 -54.59 43.72 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.727 175.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -62.19 -34.28 76.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.221 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.494 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 70.4 ttt180 -56.67 -53.16 60.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.678 175.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 91.0 mt -64.83 -33.31 75.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.837 179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -62.85 -42.43 99.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.925 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -71.44 -39.52 70.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 93.6 mt -63.86 -33.07 74.86 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 178.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.533 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 51.3 t-80 -81.2 -22.16 39.06 Favored 'General case' 0 N--CA 1.443 -0.816 0 C-N-CA 119.87 -0.732 . . . . 0.0 111.183 177.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.565 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 14.5 ptm -82.96 -16.17 48.36 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.892 -178.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.1 OUTLIER -74.01 -9.93 59.13 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.371 0.605 . . . . 0.0 109.53 174.647 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 6.0 mm-40 -76.43 -163.67 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.921 178.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.0 m80 -63.02 143.62 97.48 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.067 177.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.49 170.04 21.11 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.786 2.324 . . . . 0.0 113.594 -174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -83.26 23.85 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.574 -178.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -74.97 98.23 3.55 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.25 0.548 . . . . 0.0 110.739 -175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.734 ' HG2' ' H ' ' A' ' 73' ' ' TYR . 33.1 ttmt -131.97 -162.91 1.27 Allowed 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 177.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.734 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 79.0 m-85 -50.7 110.38 0.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.422 0.629 . . . . 0.0 111.312 -177.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -115.75 144.27 32.3 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.747 176.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -65.79 115.71 3.56 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.625 2.217 . . . . 0.0 112.855 -177.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 -81.77 169.18 17.23 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -127.61 179.65 5.4 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.276 -174.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.2 ttpp -80.73 116.5 20.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.35 179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.8 p -89.08 -175.63 4.88 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.454 176.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.909 ' HE2' ' HA ' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -88.72 70.65 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.502 0.668 . . . . 0.0 109.521 175.699 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.247 0.966 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.504 -178.23 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 N--CA 1.48 1.04 0 CA-C-O 120.965 0.412 . . . . 0.0 110.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -128.82 149.66 50.64 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.0 -0.545 . . . . 0.0 109.634 -179.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 4' ' ' VAL . 74.3 mtm180 -96.43 167.28 11.26 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.099 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.507 HG22 ' O ' ' A' ' 3' ' ' ARG . 4.5 m 54.42 -175.64 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.693 1.197 . . . . 0.0 112.261 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -92.95 98.55 11.43 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.483 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 19.0 mmm180 -82.99 142.28 44.48 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.473 -174.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 17.9 Cg_endo -94.73 129.44 0.51 Allowed 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.821 3.014 . . . . 0.0 111.529 171.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' MET . 19.8 ttt -147.29 168.28 22.16 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -177.456 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.479 HD22 ' C ' ' A' ' 9' ' ' ASN . 0.2 OUTLIER -66.76 -173.04 0.2 Allowed 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 -176.414 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.693 ' HA ' HG22 ' A' ' 13' ' ' VAL . . . -45.41 -36.72 4.49 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 115.631 1.715 . . . . 0.0 115.631 -174.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -63.24 -50.17 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 119.371 -0.932 . . . . 0.0 110.798 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.642 ' HB3' ' HB3' ' A' ' 8' ' ' MET . 0.0 OUTLIER -70.62 -41.92 71.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.237 -176.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.693 HG22 ' HA ' ' A' ' 10' ' ' ALA . 35.5 m -57.33 -43.99 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.8 -177.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.416 ' HZ3' ' O ' ' A' ' 38' ' ' LEU . 4.8 t90 -73.12 -31.67 64.45 Favored 'General case' 0 C--O 1.22 -0.454 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.574 177.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.636 ' HA ' HD11 ' A' ' 38' ' ' LEU . 68.0 m -62.13 -58.2 8.67 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.101 -179.048 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 12' ' ' MET . 14.6 ptp180 -78.64 -30.05 46.16 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.802 -178.408 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.75 -42.0 48.02 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 121.079 -0.581 . . . . 0.0 112.66 -178.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 48.5 tp60 -76.74 -30.97 56.81 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 117.125 0.463 . . . . 0.0 110.737 -177.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -61.95 -40.75 96.62 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.019 -0.673 . . . . 0.0 110.106 173.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.9 mmt180 -67.93 -47.2 69.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.917 0.389 . . . . 0.0 110.595 173.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -57.68 -44.11 85.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.083 -178.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 57.4 mtt -69.7 -32.41 70.98 Favored 'General case' 0 C--O 1.22 -0.496 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.266 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -35.19 80.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.929 0.395 . . . . 0.0 111.212 -179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -83.59 -28.66 28.36 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.532 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -84.41 -49.41 8.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.852 0.358 . . . . 0.0 111.557 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -137.75 82.62 26.16 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.463 -177.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -68.55 -4.07 12.33 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 123.272 2.648 . . . . 0.0 113.253 -175.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -83.15 7.96 14.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.474 0.655 . . . . 0.0 110.37 179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.422 ' HA ' ' CE ' ' A' ' 29' ' ' MET . 0.0 OUTLIER -87.61 150.53 23.62 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.101 179.373 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' ' HB2' ' A' ' 31' ' ' ASN . 36.8 m80 -102.53 -4.72 24.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.734 -0.212 . . . . 0.0 111.523 -172.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.687 ' HA ' HD12 ' A' ' 34' ' ' ILE . 42.0 m-80 75.85 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.728 0.811 . . . . 0.0 111.232 -176.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 30' ' ' HIS . 8.1 p -65.84 -47.99 73.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.142 0.496 . . . . 0.0 110.541 177.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.3 -33.89 65.43 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 31' ' ' ASN . 66.2 mt -54.06 -36.24 31.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.286 174.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.5 m -63.9 -41.38 97.7 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.091 0.472 . . . . 0.0 110.618 -176.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -73.89 -42.48 60.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.197 -176.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 -64.09 -47.04 81.64 Favored 'General case' 0 C--O 1.221 -0.409 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.064 177.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' SER . 4.9 tt -54.74 -50.51 68.21 Favored 'General case' 0 C--N 1.33 -0.282 0 O-C-N 123.337 0.398 . . . . 0.0 111.155 -174.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.14 -44.93 96.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.398 -0.906 . . . . 0.0 112.299 179.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.57 -36.32 80.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.698 0.285 . . . . 0.0 111.477 -177.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -78.55 -37.76 42.06 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.326 -178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -66.34 -23.03 66.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-O 121.323 0.582 . . . . 0.0 109.887 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -56.13 -26.15 48.92 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.93 175.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -98.1 4.91 49.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 112.009 -175.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.22 119.4 10.82 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.865 0.364 . . . . 0.0 111.611 -175.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -92.12 160.07 15.38 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.117 173.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.46 -26.03 67.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -177.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.526 HG23 ' HG3' ' A' ' 49' ' ' GLU . 11.2 t -65.68 -33.85 76.85 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.378 175.685 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HG3' HG23 ' A' ' 48' ' ' THR . 29.3 mt-10 -88.31 -15.52 35.51 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.21 0.528 . . . . 0.0 110.059 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 53' ' ' PHE . 0.1 OUTLIER -74.93 -27.11 60.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.3 -177.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 1.6 tmt_? -58.46 -52.8 72.0 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.547 -0.751 . . . . 0.0 112.281 -175.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.415 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 18.9 Cg_endo -62.2 -20.16 69.07 Favored 'Trans proline' 0 C--N 1.353 0.788 0 C-N-CA 121.665 1.577 . . . . 0.0 113.2 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HD2' ' HA ' ' A' ' 50' ' ' LYS . 43.6 m-85 -69.47 -18.2 63.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.699 0.285 . . . . 0.0 110.923 176.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.479 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 50.6 mm -69.7 -35.68 66.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.51 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 20.5 t70 -73.12 -36.44 66.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.311 177.249 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 6.4 mm-40 -55.27 -40.91 71.55 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.109 0.481 . . . . 0.0 109.953 173.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' HB2' HG11 ' A' ' 13' ' ' VAL . . . -63.36 -39.23 93.96 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.945 176.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG2' ' A' ' 61' ' ' ARG . 71.3 mmtt -68.08 -34.55 76.62 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.666 179.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.51 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 77.7 mtp180 -66.3 -34.52 78.18 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.271 176.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 88.6 mt -64.72 -35.88 82.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.506 176.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 58' ' ' LYS . 5.8 ptt180 -72.21 -29.06 63.6 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 178.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.6 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -69.72 -34.66 74.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.382 0.61 . . . . 0.0 110.054 175.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.661 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.8 mt -65.9 -32.31 73.74 Favored 'General case' 0 CA--C 1.512 -0.492 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.681 175.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.44 ' O ' ' HB3' ' A' ' 67' ' ' GLU . 44.6 t-80 -81.52 -22.81 37.68 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.941 176.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.6 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 14.3 ptt? -80.51 -16.97 52.99 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.564 -178.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 2.7 pptp? -80.57 -9.75 59.77 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 109.052 -0.722 . . . . 0.0 109.052 171.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 64' ' ' HIS . 35.6 tt0 -92.13 138.95 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.264 175.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -121.79 78.54 39.79 Favored Pre-proline 0 C--N 1.323 -0.554 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.736 -172.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -92.4 -9.78 2.34 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.862 2.375 . . . . 0.0 112.46 177.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -99.6 7.13 45.5 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.476 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 59.04 60.41 2.44 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.423 0.452 . . . . 0.0 111.026 178.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm 75.07 -64.29 0.39 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 123.857 0.863 . . . . 0.0 111.992 -179.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -70.24 112.23 6.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.944 0.878 . . . . 0.0 111.304 -173.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 87.1 mtm180 -105.97 144.63 29.3 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.692 176.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.417 ' O ' ' HB2' ' A' ' 76' ' ' ARG . 45.9 Cg_exo -57.18 -34.52 97.93 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.826 2.35 . . . . 0.0 112.492 -178.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 75' ' ' PRO . 90.7 mtt180 71.18 -36.29 0.36 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.334 0.654 . . . . 0.0 112.37 179.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.409 ' H ' ' C ' ' A' ' 75' ' ' PRO . 17.2 ptt180 -104.09 121.89 44.14 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.77 ' HG3' HG22 ' A' ' 79' ' ' THR . 21.6 pttp -95.33 -15.44 23.1 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 107.51 -1.293 . . . . 0.0 107.51 163.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.77 HG22 ' HG3' ' A' ' 78' ' ' LYS . 4.4 t -178.62 143.35 0.25 Allowed 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 113.59 -1.641 . . . . 0.0 108.212 179.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.83 -34.83 67.08 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.429 0.633 . . . . 0.0 109.373 177.445 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 9.3 p . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.221 -0.895 . . . . 0.0 109.562 174.753 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.27 179.24 0.23 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.752 -0.658 . . . . 0.0 112.538 173.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.429 HH11 ' HD3' ' A' ' 3' ' ' ARG . 0.7 OUTLIER -138.14 164.28 29.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.741 176.354 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.2 m -87.81 147.15 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.783 0.325 . . . . 0.0 111.173 -179.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 8.4 mptt -112.07 98.02 7.06 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 177.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 14.9 ptm180 -110.48 144.07 29.43 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 120.717 0.294 . . . . 0.0 111.582 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 2.8 Cg_exo -76.91 128.89 10.29 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 111.185 173.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt -139.33 169.19 18.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 -175.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' HG23 ' A' ' 13' ' ' VAL . 5.8 p-10 -63.63 150.39 44.3 Favored 'General case' 0 C--O 1.237 0.437 0 CA-C-O 121.004 0.431 . . . . 0.0 111.279 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.91 -42.53 8.17 Favored 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 114.808 1.41 . . . . 0.0 114.808 -173.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.435 ' HD1' ' CZ3' ' A' ' 42' ' ' TRP . 76.2 t80 -56.23 -49.38 74.3 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 118.051 0.387 . . . . 0.0 111.436 -175.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 65.5 mtt -71.61 -35.35 70.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.039 0.447 . . . . 0.0 109.89 -179.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 9' ' ' ASN . 96.2 t -54.16 -53.51 28.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.545 178.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -66.65 -29.0 68.92 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.517 -178.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.462 ' HA ' ' CD2' ' A' ' 38' ' ' LEU . 31.8 t -59.91 -57.72 11.65 Favored 'General case' 0 N--CA 1.448 -0.553 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' HA ' ' HD2' ' A' ' 19' ' ' ARG . 12.5 ptt180 -79.05 -34.66 43.58 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.687 -177.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -69.85 -50.93 26.93 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.286 -0.483 . . . . 0.0 112.539 -178.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.677 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 58.9 tp60 -65.66 -40.89 92.93 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.879 -0.189 . . . . 0.0 110.52 -177.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.602 ' HD2' ' HA ' ' A' ' 16' ' ' ARG . 6.7 ptm180 -60.7 -35.26 75.86 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.405 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.14 -47.61 14.48 Favored 'General case' 0 C--O 1.234 0.246 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.491 -179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.677 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 0.1 OUTLIER -62.73 -40.89 98.63 Favored 'General case' 0 C--N 1.333 -0.149 0 C-N-CA 120.098 -0.641 . . . . 0.0 110.417 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.572 ' HE3' ' HG3' ' A' ' 18' ' ' GLN . 2.4 ptp -73.47 -22.42 60.17 Favored 'General case' 0 C--O 1.218 -0.557 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.093 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.41 -27.56 69.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.093 0.473 . . . . 0.0 109.99 173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -83.9 -39.55 19.7 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.422 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -74.89 -49.11 21.51 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.979 0.419 . . . . 0.0 111.385 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.437 HD21 ' HB2' ' A' ' 22' ' ' MET . 0.3 OUTLIER -139.42 87.32 13.54 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.453 0.644 . . . . 0.0 109.801 177.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_exo -57.48 -1.3 0.45 Allowed 'Trans proline' 0 N--CA 1.482 0.795 0 C-N-CA 124.812 3.675 . . . . 0.0 115.78 -169.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.653 ' HD3' ' O ' ' A' ' 28' ' ' LYS . 10.7 tmtt? -72.9 -29.85 63.47 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.693 -173.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 67.0 mtm -106.63 134.47 49.71 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.831 0.348 . . . . 0.0 111.184 -175.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -136.0 -38.33 0.71 Allowed 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.714 0.635 . . . . 0.0 112.714 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.425 ' HA ' ' NH2' ' A' ' 19' ' ' ARG . 74.0 m-20 -140.97 -83.07 0.22 Allowed 'General case' 0 C--O 1.233 0.218 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -170.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.42 ' O ' ' HD3' ' A' ' 36' ' ' LYS . 10.6 m -54.26 -48.33 71.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.154 0.502 . . . . 0.0 111.99 -172.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.517 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 33.7 mt-10 -71.3 -32.92 69.21 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.957 -174.251 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.551 HG21 ' HB3' ' A' ' 19' ' ' ARG . 44.6 mm -53.29 -43.3 50.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.088 175.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.9 m -68.65 -33.89 74.77 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.426 -174.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HD3' ' O ' ' A' ' 32' ' ' SER . 12.4 mptt -77.85 -39.83 42.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.452 -178.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.517 ' HD3' ' O ' ' A' ' 33' ' ' GLU . 11.0 mpt_? -65.49 -52.74 50.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.916 177.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 8.5 mp -59.39 -39.39 83.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.738 -176.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.61 -44.48 94.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.058 179.179 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.09 -43.11 83.37 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.697 0.284 . . . . 0.0 110.697 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -67.55 -34.55 77.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.752 -177.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CZ3' ' HD1' ' A' ' 11' ' ' PHE . 15.8 t-105 -62.5 -41.27 98.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.781 178.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 43' ' ' LYS . 72.2 mmtt -65.94 -19.87 66.01 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.3 mp -112.31 10.87 20.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.073 0.463 . . . . 0.0 110.489 178.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 32.1 tp -89.68 136.45 33.03 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.615 -173.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 18.3 m -91.55 152.71 20.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.627 172.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -69.64 -28.86 66.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.545 0.212 . . . . 0.0 111.487 -175.008 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.0 t -68.18 -30.4 69.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.269 0.557 . . . . 0.0 110.283 175.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.589 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 21.4 tt0 -85.11 -10.99 56.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.443 0.639 . . . . 0.0 109.528 178.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.482 ' HE3' ' HB3' ' A' ' 50' ' ' LYS . 1.5 tmmt? -72.3 -12.91 61.35 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.25 175.187 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.563 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 30.5 ttt180 -44.88 -53.51 15.62 Favored Pre-proline 0 CA--C 1.544 0.724 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.589 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 41.5 Cg_exo -57.32 -20.34 39.1 Favored 'Trans proline' 0 C--N 1.358 1.041 0 C-N-CA 122.129 1.886 . . . . 0.0 114.001 -177.39 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.663 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 23.5 m-85 -59.2 -38.84 80.86 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.647 0.736 . . . . 0.0 109.816 173.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.2 mm -81.29 -31.81 11.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -174.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.602 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 9.4 t70 -69.39 -39.89 77.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 114.847 -1.07 . . . . 0.0 110.157 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -62.42 -34.97 77.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.287 0.565 . . . . 0.0 109.64 174.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.29 -36.76 84.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.061 176.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.602 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 45.2 mtmt -64.63 -35.4 80.9 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.826 0.346 . . . . 0.0 110.427 176.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.461 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 12.2 mmt180 -61.22 -43.38 98.97 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 83.7 mt -62.14 -40.65 96.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.729 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.551 ' O ' ' HG2' ' A' ' 65' ' ' MET . 23.7 ttt85 -66.78 -41.04 88.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.71 178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -37.18 81.39 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.967 0.413 . . . . 0.0 110.852 177.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 97.9 mt -67.02 -31.35 71.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.904 176.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 23.1 t60 -80.48 -19.16 46.57 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.394 176.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.551 ' HG2' ' O ' ' A' ' 61' ' ' ARG . 96.0 mmm -72.54 -39.53 67.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.374 176.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 67' ' ' GLU . 15.1 ptmt -86.32 -28.78 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.737 177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.462 ' O ' ' HE2' ' A' ' 66' ' ' LYS . 1.6 tp10 60.17 -159.77 0.3 Allowed 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.155 -179.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.448 ' H ' ' HG3' ' A' ' 67' ' ' GLU . 50.0 p-80 -112.21 85.16 6.55 Favored Pre-proline 0 C--N 1.328 -0.356 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -172.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -92.81 -3.99 3.4 Favored 'Trans proline' 0 N--CA 1.452 -0.952 0 C-N-CA 122.639 2.226 . . . . 0.0 110.598 167.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.469 ' HB3' ' HG2' ' A' ' 72' ' ' LYS . 2.5 m-20 -68.31 -33.41 74.28 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 114.894 -1.048 . . . . 0.0 111.38 -177.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 18.6 p90 45.15 33.99 1.26 Allowed 'General case' 0 N--CA 1.474 0.745 0 O-C-N 124.168 0.917 . . . . 0.0 112.31 -177.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.469 ' HG2' ' HB3' ' A' ' 70' ' ' ASP . 25.9 pttm -115.87 17.67 15.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.242 -173.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.07 109.99 22.11 Favored 'General case' 0 C--O 1.24 0.553 0 CA-C-O 121.135 0.493 . . . . 0.0 110.064 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.3 ptt180 -79.37 166.01 44.47 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.566 -173.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.23 165.21 20.26 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.368 2.712 . . . . 0.0 114.64 -173.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.475 ' C ' ' HD3' ' A' ' 76' ' ' ARG . 2.1 tmt_? 177.19 -44.89 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 176.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -133.37 119.09 19.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.608 -1.178 . . . . 0.0 107.838 170.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 55.7 pttt -71.33 156.8 39.09 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.398 0.618 . . . . 0.0 112.132 -172.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 t -142.26 147.51 36.56 Favored 'General case' 0 C--N 1.319 -0.717 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.936 174.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.606 ' HD2' HG23 ' A' ' 81' ' ' THR . 5.0 tmmm? -89.29 -51.99 5.28 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 176.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.606 HG23 ' HD2' ' A' ' 80' ' ' LYS . 5.6 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.021 -0.99 . . . . 0.0 109.657 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.477 0.897 0 N-CA-C 110.723 -0.102 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 60.56 104.16 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 176.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 3' ' ' ARG . 54.2 mtt-85 -82.73 121.21 26.59 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 170.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.58 HG13 HD22 ' A' ' 60' ' ' LEU . 18.3 t -142.83 148.64 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.998 0.427 . . . . 0.0 110.578 -173.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -112.44 165.63 12.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 171.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.35 151.51 48.36 Favored Pre-proline 0 C--O 1.237 0.441 0 CA-C-N 117.587 0.176 . . . . 0.0 111.422 -174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_exo -45.79 134.13 13.78 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.371 2.714 . . . . 0.0 112.913 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.419 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 13.2 tpt -147.22 169.75 18.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.197 -0.91 . . . . 0.0 108.69 -176.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -56.38 157.29 5.1 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 120.971 0.415 . . . . 0.0 111.641 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.555 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.29 -37.96 8.02 Favored 'General case' 0 CA--C 1.533 0.325 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -174.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.545 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 74.8 t80 -55.18 -49.35 72.11 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.207 0.527 . . . . 0.0 110.645 -179.544 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.419 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 20.3 mmt -69.26 -40.05 78.08 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.948 179.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.474 HG21 ' HB2' ' A' ' 57' ' ' ALA . 84.9 t -52.62 -55.5 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.24 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.474 ' HB2' ' CD2' ' A' ' 53' ' ' PHE . 4.6 t90 -67.87 -28.55 67.62 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.491 -177.263 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 33.3 t -60.52 -55.04 38.27 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.0 ptp180 -76.87 -36.71 56.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.248 -176.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.01 -47.74 29.94 Favored Glycine 0 N--CA 1.447 -0.626 0 C-N-CA 121.295 -0.478 . . . . 0.0 112.647 -177.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.483 ' HG2' HD11 ' A' ' 38' ' ' LEU . 56.6 tp60 -66.77 -42.71 85.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.564 0.182 . . . . 0.0 110.605 -177.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -63.57 -31.62 72.84 Favored 'General case' 0 CA--C 1.531 0.248 0 C-N-CA 120.443 -0.503 . . . . 0.0 110.232 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 29.6 ttp180 -66.86 -57.91 6.06 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.938 0.399 . . . . 0.0 110.819 175.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -31.03 69.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.746 -175.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.479 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 6.7 mtt -69.45 -35.97 76.15 Favored 'General case' 0 CA--C 1.518 -0.275 0 C-N-CA 121.347 -0.141 . . . . 0.0 111.01 177.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.36 -33.48 74.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.195 0.521 . . . . 0.0 110.378 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -73.25 -46.74 48.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.999 175.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -74.81 -50.3 17.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -174.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -143.04 85.46 9.8 Favored Pre-proline 0 C--N 1.321 -0.643 0 CA-C-O 121.492 0.663 . . . . 0.0 111.896 -175.432 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.95 -2.42 11.48 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 123.163 2.576 . . . . 0.0 112.785 178.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tttp -72.95 -29.03 62.78 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.159 0.504 . . . . 0.0 109.838 -178.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 16.8 ptp -96.07 116.24 28.67 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 174.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -77.2 167.72 21.27 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.878 -170.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.424 ' HA ' HD12 ' A' ' 34' ' ' ILE . 1.8 p30 -61.79 -26.2 67.95 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.681 -0.236 . . . . 0.0 111.562 -170.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.4 m -61.62 -47.42 85.52 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 -62.37 -46.65 87.69 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' O ' HD13 ' A' ' 38' ' ' LEU . 72.3 mt -53.35 -41.52 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.918 177.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.5 p -73.07 -30.19 63.51 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.335 -176.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.403 ' HE3' ' HB3' ' A' ' 36' ' ' LYS . 29.6 mmmt -68.18 -43.8 77.34 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.959 177.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.719 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 83.9 mtp180 -66.84 -53.76 29.27 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.539 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD11 ' HG2' ' A' ' 18' ' ' GLN . 7.3 mp -51.74 -45.46 63.67 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -175.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.58 -45.97 94.73 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.201 178.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.82 90.83 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.746 0.308 . . . . 0.0 111.017 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.719 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 4.7 mm-40 -69.33 -36.84 77.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.265 -178.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.545 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER -66.66 -32.1 73.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.317 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.5 tptm -69.27 -24.09 63.93 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.31 26.09 10.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.095 0.474 . . . . 0.0 110.099 178.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.487 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 33.5 tp -72.08 125.14 26.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.709 -174.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 14.9 m -91.6 159.26 15.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.116 174.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -65.64 -28.31 69.01 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.715 0.293 . . . . 0.0 110.506 178.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.5 m -59.22 -30.77 68.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.076 0.465 . . . . 0.0 110.67 177.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -85.15 -14.89 45.57 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.691 -179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 86.2 mttt -76.53 -14.36 60.03 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 -171.241 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.436 ' C ' ' HD3' ' A' ' 51' ' ' ARG . 3.4 tmt_? -59.64 -55.62 44.03 Favored Pre-proline 0 CA--C 1.539 0.552 0 C-N-CA 121.128 -0.229 . . . . 0.0 111.54 -177.642 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.419 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 27.7 Cg_endo -63.63 -22.3 70.23 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 121.664 1.576 . . . . 0.0 113.27 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.555 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 30.3 m-85 -59.15 -40.29 85.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.771 0.796 . . . . 0.0 109.69 173.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -82.11 -33.5 11.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 114.994 -1.003 . . . . 0.0 108.888 -172.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.575 ' O ' ' HD2' ' A' ' 59' ' ' ARG . 25.6 t0 -72.55 -38.94 67.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.962 -1.017 . . . . 0.0 110.625 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.658 ' OE1' ' HD3' ' A' ' 59' ' ' ARG . 5.5 mm-40 -60.19 -38.81 84.4 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.678 0.275 . . . . 0.0 110.422 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.474 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.06 -37.79 75.08 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.684 174.707 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm -67.32 -34.96 78.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.377 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.658 ' HD3' ' OE1' ' A' ' 56' ' ' GLU . 4.1 mpt_? -64.97 -44.34 89.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 120.742 0.306 . . . . 0.0 110.281 175.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.58 HD22 HG13 ' A' ' 4' ' ' VAL . 49.0 mt -59.67 -38.3 81.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.175 0.512 . . . . 0.0 109.995 177.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -64.98 -47.92 75.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.343 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 65' ' ' MET . . . -65.11 -43.64 91.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.565 -178.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 91.9 mt -63.58 -33.72 76.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.725 0.298 . . . . 0.0 111.242 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -79.7 -28.57 40.64 Favored 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.225 -0.59 . . . . 0.0 111.302 -177.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 21.3 ptp -76.71 -24.31 53.12 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.197 178.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 62' ' ' ALA . 95.0 mttt -76.64 -2.08 30.92 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.945 0.402 . . . . 0.0 110.953 177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -69.34 -22.58 63.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.4 0.619 . . . . 0.0 110.3 178.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.8 p80 -140.49 165.25 31.36 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.238 -175.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.93 160.02 13.33 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 122.739 2.292 . . . . 0.0 112.118 174.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -15.45 60.82 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.598 -179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.8 t80 66.52 -166.02 0.22 Allowed 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.175 178.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -61.76 175.97 0.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.53 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -53.59 112.47 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.872 0.844 . . . . 0.0 111.892 -170.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 74' ' ' ARG . 18.1 ptt180 -114.42 159.11 38.03 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.202 171.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -57.0 97.29 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.392 2.061 . . . . 0.0 111.972 177.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.93 -20.4 29.03 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.559 -179.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -152.42 149.33 28.47 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.127 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.493 ' O ' HG22 ' A' ' 79' ' ' THR . 63.8 tttp -105.43 -42.94 5.09 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 78' ' ' LYS . 3.9 t 49.46 -164.67 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.616 0 O-C-N 124.129 0.893 . . . . 0.0 111.492 -176.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.413 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 9.9 mtpm? -62.21 -54.62 38.33 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 122.367 -0.208 . . . . 0.0 111.47 -179.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 54.8 m . . . . . 0 C--O 1.249 1.075 0 O-C-N 123.968 0.793 . . . . 0.0 110.529 -174.606 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.3 p . . . . . 0 N--CA 1.479 0.993 0 CA-C-O 120.82 0.343 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -160.68 160.8 31.96 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.865 0.364 . . . . 0.0 110.958 -173.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.59 143.05 47.05 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 171.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.5 m -82.31 146.66 6.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.03 0.443 . . . . 0.0 110.777 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 84.8 mttt -115.49 177.68 4.57 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.294 -176.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 6' ' ' ARG . 16.3 ptt180 -48.32 149.23 2.81 Favored Pre-proline 0 CA--C 1.535 0.394 0 O-C-N 123.663 0.602 . . . . 0.0 111.774 -177.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.615 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 9.9 Cg_endo -51.04 128.04 23.65 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 123.273 2.649 . . . . 0.0 112.34 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.431 ' HG2' ' HG3' ' A' ' 12' ' ' MET . 9.9 tpt -128.05 168.87 14.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.78 -175.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -58.54 158.8 7.17 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-O 121.247 0.546 . . . . 0.0 112.026 -178.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -46.94 -33.39 4.57 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -174.19 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.495 ' HA ' ' CZ2' ' A' ' 42' ' ' TRP . 72.6 t80 -60.27 -47.8 84.44 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 -179.352 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.431 ' HG3' ' HG2' ' A' ' 8' ' ' MET . 17.3 mmt -67.34 -40.92 85.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.115 177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.468 HG11 ' O ' ' A' ' 53' ' ' PHE . 64.7 t -52.85 -55.17 12.95 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.709 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.605 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 0.9 OUTLIER -69.34 -28.03 65.87 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.716 -177.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.474 ' HA ' HD23 ' A' ' 38' ' ' LEU . 34.6 t -66.03 -59.02 4.22 Favored 'General case' 0 C--N 1.32 -0.691 0 C-N-CA 120.061 -0.656 . . . . 0.0 109.869 -178.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -79.13 -37.24 39.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.327 -176.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.35 -50.79 11.08 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.727 -176.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.655 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 54.4 tp60 -66.53 -39.79 88.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.681 0.24 . . . . 0.0 110.436 -177.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 34' ' ' ILE . 18.0 ttp180 -61.89 -34.54 76.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-O 120.905 0.383 . . . . 0.0 110.37 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 tpp180 -71.48 -52.92 15.79 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.655 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 14.4 ptmm? -66.59 -31.24 71.81 Favored 'General case' 0 C--O 1.224 -0.264 0 C-N-CA 120.766 -0.374 . . . . 0.0 111.377 -176.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 69.3 mtp -67.21 -38.56 85.48 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 121.268 -0.173 . . . . 0.0 110.721 176.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.82 -29.78 68.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.164 0.507 . . . . 0.0 110.351 177.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -82.63 -47.3 12.22 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.313 175.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -67.23 -42.5 83.9 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 -177.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.58 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -155.4 86.77 3.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-O 121.789 0.804 . . . . 0.0 110.741 -175.722 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_exo -64.78 -0.77 3.41 Favored 'Trans proline' 0 N--CA 1.478 0.614 0 C-N-CA 124.261 3.307 . . . . 0.0 113.669 -176.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -73.43 -15.92 61.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.498 -174.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.54 119.04 27.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.255 0.55 . . . . 0.0 110.307 177.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -85.71 80.35 9.01 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 112.024 -169.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 52.4 -85.97 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.541 0.941 . . . . 0.0 113.541 170.277 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.4 m -62.38 -30.27 71.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.212 -176.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -59.59 -42.58 92.88 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 177.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.478 ' O ' HD13 ' A' ' 38' ' ' LEU . 67.2 mt -57.92 -42.49 82.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.731 175.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.4 m -65.52 -31.82 73.09 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.492 -178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.438 ' NZ ' ' HB3' ' A' ' 36' ' ' LYS . 5.0 mmmp? -69.86 -46.5 65.39 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.334 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.687 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 29.0 mtp180 -61.08 -51.68 68.13 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.627 178.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.605 ' HG ' ' CE3' ' A' ' 14' ' ' TRP . 7.4 mp -51.13 -45.31 61.59 Favored 'General case' 0 C--N 1.328 -0.333 0 O-C-N 123.413 0.446 . . . . 0.0 112.103 -176.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -64.21 -42.05 98.08 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.14 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.48 -31.01 67.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.701 0.286 . . . . 0.0 111.158 -178.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.687 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 5.8 mm-40 -72.03 -40.78 68.18 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 177.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.495 ' CZ2' ' HA ' ' A' ' 11' ' ' PHE . 7.3 m95 -61.07 -29.86 69.99 Favored 'General case' 0 N--CA 1.462 0.138 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.534 178.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.477 ' HB3' ' HE2' ' A' ' 43' ' ' LYS . 33.1 mtpt -62.51 -27.01 68.85 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.805 0.336 . . . . 0.0 111.828 177.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -116.46 16.91 15.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.977 0.418 . . . . 0.0 110.463 -179.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 25.7 tp -87.67 121.95 30.73 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.571 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.7 m -93.28 177.98 5.87 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 172.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.464 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 0.9 OUTLIER -72.88 -24.17 60.82 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 178.56 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 9.4 t -66.63 -30.85 71.22 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.842 -0.343 . . . . 0.0 111.123 -176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.571 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 2.3 mp0 -84.83 -14.24 48.6 Favored 'General case' 0 C--O 1.226 -0.168 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 175.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.524 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 96.9 mttt -74.99 -13.79 60.55 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -176.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.453 ' N ' ' HD2' ' A' ' 52' ' ' PRO . 30.6 mtm180 -57.26 -50.25 89.24 Favored Pre-proline 0 CA--C 1.541 0.605 0 N-CA-C 112.544 0.572 . . . . 0.0 112.544 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.453 ' HD2' ' N ' ' A' ' 51' ' ' ARG . 32.1 Cg_endo -64.5 -24.72 63.37 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 121.728 1.618 . . . . 0.0 112.964 177.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.524 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 4.8 m-85 -58.79 -35.53 72.97 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.747 0.784 . . . . 0.0 109.332 173.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' O ' ' HB3' ' A' ' 57' ' ' ALA . 40.5 mm -80.2 -31.13 13.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.389 -173.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.494 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 32.5 t70 -73.24 -43.79 60.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.553 178.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -61.74 -30.76 70.99 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-O 120.942 0.401 . . . . 0.0 110.224 174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 54' ' ' ILE . . . -58.52 -42.26 87.33 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.121 172.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.494 ' HE3' ' HA ' ' A' ' 55' ' ' ASP . 61.7 mttt -61.81 -42.14 98.64 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.106 0.479 . . . . 0.0 109.758 175.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 75.1 ttt180 -55.89 -55.01 37.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.063 -0.972 . . . . 0.0 111.599 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 pp -71.46 -28.74 64.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.971 0.415 . . . . 0.0 110.611 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.615 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 74.3 ttt180 -64.11 -52.77 57.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.056 177.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.24 98.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.144 -178.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.619 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 86.9 mt -58.61 -39.68 81.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.658 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -82.64 -26.56 32.07 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 119.363 -0.935 . . . . 0.0 111.185 177.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 54.1 mtm -76.1 -21.77 56.31 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -177.213 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.619 ' HG2' ' O ' ' A' ' 63' ' ' LEU . 14.1 ptmm? -58.6 -29.73 66.67 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.723 0.297 . . . . 0.0 111.313 179.29 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -87.93 -44.95 10.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.545 178.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 25.6 p80 43.55 68.27 3.12 Favored Pre-proline 0 N--CA 1.472 0.668 0 C-N-CA 124.005 0.922 . . . . 0.0 113.292 177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -68.51 -46.25 2.04 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.122 1.881 . . . . 0.0 111.77 177.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -70.14 -33.79 72.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.491 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 36.0 t80 61.34 93.55 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.139 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.445 ' HB2' ' H ' ' A' ' 73' ' ' TYR . 1.8 ptpp? -127.15 -164.29 1.34 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.727 179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.445 ' H ' ' HB2' ' A' ' 72' ' ' LYS . 88.6 m-85 -46.25 111.69 0.4 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.082 0.863 . . . . 0.0 111.906 -175.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -64.28 143.31 98.41 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.131 -0.94 . . . . 0.0 110.36 175.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -59.29 156.67 34.13 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.583 2.189 . . . . 0.0 111.261 173.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.576 ' O ' ' HD2' ' A' ' 77' ' ' ARG . 8.8 ttp180 -66.05 -58.36 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.851 -177.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.576 ' HD2' ' O ' ' A' ' 76' ' ' ARG . 20.4 mmm180 -127.26 -72.0 0.65 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.57 0.224 . . . . 0.0 110.632 177.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.6 tptt 68.22 113.95 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 O-C-N 124.115 0.885 . . . . 0.0 111.022 -173.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.0 p -84.07 153.03 24.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.309 -177.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -166.77 163.38 16.5 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 177.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 5.6 t . . . . . 0 C--O 1.25 1.1 0 CA-C-O 117.631 -1.176 . . . . 0.0 111.694 -178.07 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 45.9 m . . . . . 0 N--CA 1.481 1.082 0 N-CA-C 110.443 -0.206 . . . . 0.0 110.443 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -141.53 158.77 43.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.356 0.598 . . . . 0.0 112.072 -171.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 91.0 mtt180 -128.04 -164.79 1.41 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.782 -1.099 . . . . 0.0 108.586 175.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.9 m -68.18 127.57 30.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 173.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 8.1 mptt -91.9 94.66 9.41 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.331 -0.548 . . . . 0.0 110.436 -175.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -113.74 157.42 41.73 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.074 176.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HG3' ' HG3' ' A' ' 61' ' ' ARG . 61.2 Cg_endo -75.68 142.87 26.34 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.378 2.052 . . . . 0.0 111.838 173.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 11.3 tpt -147.81 169.92 18.74 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.176 -0.675 . . . . 0.0 109.176 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.46 ' O ' HG23 ' A' ' 13' ' ' VAL . 4.3 p-10 -62.09 161.75 10.48 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.035 0.445 . . . . 0.0 111.595 177.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.498 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.48 -41.02 9.06 Favored 'General case' 0 N--CA 1.468 0.449 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.472 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 68.0 t80 -56.19 -50.67 70.56 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 118.527 0.603 . . . . 0.0 111.125 -177.52 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.493 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 1.9 mpt? -70.78 -34.84 72.2 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 178.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.547 HG21 ' HB2' ' A' ' 57' ' ' ALA . 68.0 t -53.12 -52.06 33.4 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.536 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.85 178.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 53' ' ' PHE . 3.1 t90 -70.92 -28.36 64.46 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.592 -178.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.463 ' HA ' HD23 ' A' ' 38' ' ' LEU . 47.2 m -62.03 -57.8 10.26 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-O 121.359 0.6 . . . . 0.0 109.442 179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.493 ' HG2' ' O ' ' A' ' 12' ' ' MET . 7.2 ptp180 -78.56 -23.77 45.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.958 -178.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.457 ' HA2' HH11 ' A' ' 20' ' ' ARG . . . -79.52 -49.47 6.17 Favored Glycine 0 N--CA 1.452 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 112.795 -177.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.574 ' HG2' HD11 ' A' ' 38' ' ' LEU . 7.6 tp60 -60.55 -40.8 92.93 Favored 'General case' 0 CA--C 1.517 -0.309 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.479 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 0.2 OUTLIER -58.58 -39.39 80.21 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.212 176.463 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 HH11 ' HA2' ' A' ' 17' ' ' GLY . 22.6 mtp-105 -64.65 -60.49 3.06 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 111.825 0.306 . . . . 0.0 111.825 -179.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.563 ' HD2' ' OE1' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -66.83 -34.45 77.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.725 0.297 . . . . 0.0 111.257 -173.433 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.441 ' HG3' HD21 ' A' ' 26' ' ' ASN . 24.5 ttp -72.99 -22.12 60.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.869 0.366 . . . . 0.0 110.17 178.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -76.55 -34.42 58.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.83 0.348 . . . . 0.0 110.556 175.136 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.38 -28.86 61.3 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.734 177.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 56.8 mt-10 -82.01 -49.91 9.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.022 178.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.441 HD21 ' HG3' ' A' ' 22' ' ' MET . 0.2 OUTLIER -154.26 88.33 3.45 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.254 0.549 . . . . 0.0 111.122 -178.011 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 29.9 Cg_endo -61.65 -1.18 1.87 Allowed 'Trans proline' 0 N--CA 1.481 0.77 0 C-N-CA 124.401 3.401 . . . . 0.0 113.971 -175.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.14 -27.04 62.36 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -174.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 35.4 ttm -75.96 126.39 30.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.998 0.428 . . . . 0.0 110.596 -176.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.463 ' O ' HG13 ' A' ' 34' ' ' ILE . 63.0 m80 -87.77 163.75 16.31 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.274 -173.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -57.35 -47.04 82.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.54 -0.755 . . . . 0.0 112.736 -175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.4 m -56.46 -47.31 79.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.004 0.43 . . . . 0.0 110.97 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -59.6 -49.57 77.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.746 -179.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 30' ' ' HIS . 76.3 mt -56.5 -35.85 45.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.859 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.3 m -67.05 -39.81 87.0 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.003 0.43 . . . . 0.0 110.465 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -76.0 -40.28 53.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.317 0.579 . . . . 0.0 109.817 -178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 ttt180 -62.75 -49.63 74.24 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.178 -0.919 . . . . 0.0 110.614 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.574 HD11 ' HG2' ' A' ' 18' ' ' GLN . 8.3 mp -63.09 -42.31 99.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.513 -177.556 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -58.61 -46.3 93.47 Favored Glycine 0 CA--C 1.518 0.26 0 C-N-CA 120.52 -0.848 . . . . 0.0 112.013 177.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.11 -34.37 77.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.968 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -73.64 -36.34 65.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.005 -179.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.525 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 20.6 t-105 -62.44 -35.29 78.8 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.626 178.474 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 34.1 mmtp -59.13 -27.34 65.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.094 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.6 mt -117.51 26.93 9.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 179.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.525 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.2 tp -70.7 114.0 8.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.868 0.366 . . . . 0.0 111.612 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.63 152.99 20.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.87 176.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -56.36 -32.81 65.09 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.985 -0.552 . . . . 0.0 112.255 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.419 HG23 ' OE1' ' A' ' 49' ' ' GLU . 2.1 t -63.08 -37.92 89.12 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.727 0.299 . . . . 0.0 111.028 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.623 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 12.0 mp0 -81.3 -17.29 49.81 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.529 175.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 53' ' ' PHE . 36.7 ttmt -80.64 -16.15 54.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.198 -174.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.587 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.2 tpt180 -60.83 -51.75 77.31 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.623 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 27.1 Cg_exo -62.98 -17.27 59.26 Favored 'Trans proline' 0 C--N 1.357 0.983 0 C-N-CA 121.936 1.757 . . . . 0.0 113.185 -178.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 14' ' ' TRP . 16.9 m-85 -58.46 -39.25 79.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.403 0.62 . . . . 0.0 109.499 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.4 mm -81.3 -33.09 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.54 -173.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' O ' ' HG3' ' A' ' 59' ' ' ARG . 33.9 t70 -70.24 -48.2 57.98 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.654 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.41 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 71.2 mm-40 -59.87 -35.49 74.92 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.485 177.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.547 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.24 -45.86 86.99 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.651 175.336 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -61.86 -44.42 96.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.584 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' HG3' ' O ' ' A' ' 55' ' ' ASP . 76.3 mtp180 -61.94 -48.31 80.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.749 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 96.6 mt -64.9 -33.34 75.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.992 -179.423 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.428 ' HG3' ' HG3' ' A' ' 7' ' ' PRO . 38.2 ttp180 -68.16 -41.23 81.85 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.555 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -64.21 -42.44 96.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.549 177.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 98.5 mt -62.58 -29.45 70.6 Favored 'General case' 0 CA--C 1.514 -0.436 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 177.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -79.61 -41.61 26.7 Favored 'General case' 0 C--N 1.317 -0.831 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.98 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.555 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 20.3 ptp -69.74 -23.66 63.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.77 -0.196 . . . . 0.0 110.916 -178.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 62' ' ' ALA . 72.2 mmtt -69.53 -16.99 63.54 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.757 176.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 68' ' ' HIS . 3.1 tp10 60.91 -163.02 0.26 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.05 177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.474 ' HB3' ' HD2' ' A' ' 69' ' ' PRO . 74.7 m80 75.11 162.25 0.15 Allowed Pre-proline 0 C--O 1.234 0.275 0 C-N-CA 122.812 0.445 . . . . 0.0 110.342 179.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.56 ' HB2' ' HE2' ' A' ' 73' ' ' TYR . 91.0 Cg_endo -78.04 -164.88 0.3 Allowed 'Trans proline' 0 CA--C 1.531 0.342 0 C-N-CA 122.467 2.111 . . . . 0.0 112.121 175.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -68.18 -22.97 64.8 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 120.897 0.38 . . . . 0.0 111.096 -176.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.8 t80 60.94 34.38 19.48 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.83 0.824 . . . . 0.0 110.89 176.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.439 ' HB3' ' HE2' ' A' ' 72' ' ' LYS . 14.5 ptpt -172.34 22.25 0.01 OUTLIER 'General case' 0 CA--C 1.507 -0.674 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.475 178.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.56 ' HE2' ' HB2' ' A' ' 69' ' ' PRO . 23.9 p90 -84.03 131.98 34.77 Favored 'General case' 0 N--CA 1.434 -1.269 0 CA-C-N 114.907 -1.042 . . . . 0.0 108.643 172.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.55 143.53 93.39 Favored Pre-proline 0 C--N 1.315 -0.91 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 169.403 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -60.15 -34.0 94.59 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.232 . . . . 0.0 113.072 -173.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -128.14 -44.2 1.45 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.41 -178.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.39 81.79 4.71 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -172.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -116.08 -37.74 3.77 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 163.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.5 m 69.62 0.54 3.01 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.756 175.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 82.8 tttt 60.95 81.08 0.2 Allowed 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.473 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 C--O 1.246 0.915 0 N-CA-C 108.65 -0.87 . . . . 0.0 108.65 176.227 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.477 0.917 0 CA-C-O 120.343 0.116 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 38.5 t70 57.16 79.12 0.2 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.45 0.643 . . . . 0.0 111.163 -177.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -63.72 152.84 38.13 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.829 179.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.7 t -74.19 144.59 12.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.139 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.528 ' HG2' ' HB3' ' A' ' 63' ' ' LEU . 8.4 mptt -106.66 97.76 7.51 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.446 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 8.4 ptp180 -110.78 143.54 28.44 Favored Pre-proline 0 C--N 1.324 -0.532 0 C-N-CA 121.112 -0.235 . . . . 0.0 110.95 178.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 5.8 Cg_exo -79.78 143.43 16.6 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.29 2.66 . . . . 0.0 111.889 176.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -147.97 169.33 20.13 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.692 -0.485 . . . . 0.0 109.692 -177.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.499 ' O ' HG23 ' A' ' 13' ' ' VAL . 6.0 p-10 -64.43 151.95 42.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.702 0.287 . . . . 0.0 110.819 178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.791 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.12 -44.99 11.01 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 114.514 1.302 . . . . 0.0 114.514 -174.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.451 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 90.6 t80 -54.78 -50.43 68.49 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 118.223 0.465 . . . . 0.0 111.419 -176.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 24.4 mmt -67.65 -38.86 84.42 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 9' ' ' ASN . 74.7 t -53.3 -53.09 25.63 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.442 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.021 178.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.685 ' O ' ' HB2' ' A' ' 18' ' ' GLN . 16.2 t90 -63.43 -32.88 74.44 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.808 -177.606 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.409 ' HA ' HD23 ' A' ' 38' ' ' LEU . 10.7 t -62.56 -56.26 19.63 Favored 'General case' 0 C--O 1.241 0.607 0 CA-C-O 121.298 0.57 . . . . 0.0 109.869 -179.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 ptp180 -77.66 -28.99 51.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.418 -176.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.69 23.93 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.237 -0.506 . . . . 0.0 112.441 -179.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.685 ' HB2' ' O ' ' A' ' 14' ' ' TRP . 4.0 tm0? -62.54 -49.0 77.07 Favored 'General case' 0 CA--C 1.517 -0.323 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' HG21 ' A' ' 34' ' ' ILE . 8.6 ptm180 -62.23 -31.08 71.58 Favored 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.426 179.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 37.3 ttp85 -63.03 -57.76 9.57 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.882 0.372 . . . . 0.0 110.772 176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 18' ' ' GLN . 9.2 ptmt -65.22 -37.89 88.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.396 -176.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 51.4 ttm -67.62 -35.73 79.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.965 -0.107 . . . . 0.0 111.195 178.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.78 -33.48 75.27 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 120.87 0.366 . . . . 0.0 110.692 178.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -77.42 -37.5 51.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.078 176.119 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.1 mt-10 -69.83 -49.67 50.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.118 0.485 . . . . 0.0 111.091 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.6 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -168.74 86.71 0.66 Allowed Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.874 -170.392 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 62.5 Cg_endo -73.34 64.86 4.47 Favored 'Trans proline' 0 CA--C 1.529 0.235 0 C-N-CA 122.634 2.223 . . . . 0.0 112.877 -176.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -99.3 -29.65 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.089 0.471 . . . . 0.0 110.21 176.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.9 mtm -104.35 131.55 51.57 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.244 -177.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -91.27 -78.39 0.39 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.775 -172.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 p30 -135.87 -59.28 0.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -173.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.1 t -52.92 -47.78 67.74 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.843 0.354 . . . . 0.0 111.081 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -57.48 -52.43 65.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.332 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' ' HB2' ' A' ' 38' ' ' LEU . 44.1 mm -53.78 -40.93 45.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.154 -0.93 . . . . 0.0 110.603 178.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.2 t -72.86 -35.45 67.2 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.209 0.528 . . . . 0.0 110.405 -174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.2 tptm -72.6 -51.01 21.47 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.468 -174.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.566 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.1 mtt85 -67.95 -47.36 68.87 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.527 -177.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 34' ' ' ILE . 8.6 mp -57.67 -43.86 85.31 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 111.775 0.287 . . . . 0.0 111.775 -178.199 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -59.56 -45.95 94.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.078 178.148 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.85 88.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.547 0.213 . . . . 0.0 111.106 178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.566 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.0 mm-40 -67.53 -36.21 80.57 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.963 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.518 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 26.6 t-105 -63.74 -36.44 83.86 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.924 177.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -67.07 -19.93 65.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.78 0.324 . . . . 0.0 111.655 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.7 mp -117.72 27.71 8.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.918 0.39 . . . . 0.0 110.473 176.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.518 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 17.5 tp -82.61 127.04 32.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.678 -173.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.3 m -92.05 167.53 12.02 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.735 176.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.544 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 30.4 tt0 -69.99 -32.56 70.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.756 0.312 . . . . 0.0 110.601 179.533 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.4 t -58.64 -29.13 66.29 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.267 0.556 . . . . 0.0 110.061 176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.612 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 40.9 mt-10 -83.52 -13.82 53.71 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.271 179.312 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.557 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 66.0 mttm -66.37 -24.05 66.43 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.75 0.31 . . . . 0.0 111.287 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.558 ' HB2' ' HD3' ' A' ' 52' ' ' PRO . 2.7 mpt_? -58.52 -55.63 43.91 Favored Pre-proline 0 CA--C 1.535 0.399 0 N-CA-C 112.57 0.582 . . . . 0.0 112.57 -173.248 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.612 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 18.1 Cg_exo -65.82 -20.03 58.72 Favored 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 121.594 1.53 . . . . 0.0 112.977 -178.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.791 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 34.1 m-85 -59.45 -40.53 87.12 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.751 0.786 . . . . 0.0 109.603 171.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 43.9 mm -82.8 -35.19 12.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 CA-C-N 114.756 -1.111 . . . . 0.0 108.908 -174.006 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.402 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 9.2 t70 -63.25 -50.8 68.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.198 -0.91 . . . . 0.0 110.694 177.574 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.482 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 12.0 tp10 -55.62 -41.41 73.47 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 177.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.479 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -62.92 -46.97 85.28 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.422 177.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 54' ' ' ILE . 54.7 mtmt -59.22 -40.69 86.64 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.71 178.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.551 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 35.9 mtt180 -67.58 -38.15 83.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.28 179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 89.3 mt -63.97 -43.87 94.46 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.138 0.494 . . . . 0.0 110.272 175.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -66.98 -35.08 79.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.806 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.93 -29.35 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.788 176.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.6 mt -70.72 -33.62 71.05 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.849 175.169 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -74.42 -36.0 63.41 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.14 -0.624 . . . . 0.0 109.788 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 71.0 mtm -75.35 -23.4 57.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.966 0.412 . . . . 0.0 110.083 177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 62.5 tttm -66.71 -58.55 4.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 108.508 -0.923 . . . . 0.0 108.508 172.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' C ' ' HD3' ' A' ' 69' ' ' PRO . 6.9 tt0 51.03 -161.69 0.07 Allowed 'General case' 0 CA--C 1.533 0.323 0 O-C-N 124.154 0.909 . . . . 0.0 111.357 169.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.405 ' H ' ' HG2' ' A' ' 67' ' ' GLU . 0.3 OUTLIER -132.87 64.25 70.35 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.574 169.045 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 4.7 Cg_exo -74.7 -13.33 22.15 Favored 'Trans proline' 0 C--N 1.354 0.845 0 C-N-CA 123.193 2.596 . . . . 0.0 111.474 -176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.66 -23.41 64.41 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.264 176.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -138.53 82.64 1.92 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-O 121.323 0.582 . . . . 0.0 111.009 178.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 69' ' ' PRO . 19.6 ptmt -169.51 20.92 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.852 174.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -100.1 112.43 24.73 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.294 -178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -97.53 160.68 28.16 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.359 176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -61.13 174.16 2.04 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.954 2.436 . . . . 0.0 112.555 178.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -64.99 -25.0 67.68 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.594 -177.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -75.57 81.99 2.59 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.388 0.613 . . . . 0.0 109.615 171.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.08 81.74 1.83 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.304 -176.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 m 64.23 100.31 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.602 174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -118.22 137.62 52.89 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 23.3 m . . . . . 0 C--O 1.253 1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.673 -177.797 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -151.72 153.5 34.47 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 111.121 -178.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -135.47 148.28 49.18 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.117 -0.947 . . . . 0.0 108.539 173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.9 m -75.57 106.86 5.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.17 0.51 . . . . 0.0 110.564 177.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -63.68 127.53 31.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.053 179.109 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -58.7 158.38 16.04 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.236 -174.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -63.84 100.91 0.31 Allowed 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.161 1.907 . . . . 0.0 109.896 166.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 tpt -86.97 171.95 10.38 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.21 -172.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -58.67 156.27 11.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.977 0.418 . . . . 0.0 111.106 175.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.784 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -44.53 -49.18 10.13 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -174.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -54.38 -49.52 69.66 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 118.258 0.481 . . . . 0.0 111.31 -176.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.634 ' O ' ' HD2' ' A' ' 16' ' ' ARG . 26.4 mmt -67.07 -41.24 86.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.623 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.7 t -52.78 -56.44 7.41 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.203 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.635 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 8.0 t90 -63.52 -27.33 69.19 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.303 -176.229 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.541 ' O ' ' HB2' ' A' ' 19' ' ' ARG . 50.1 m -55.69 -55.69 29.21 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.022 176.125 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.634 ' HD2' ' O ' ' A' ' 12' ' ' MET . 0.0 OUTLIER -80.45 -30.33 37.53 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 119.972 -0.691 . . . . 0.0 111.827 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.3 -55.5 18.17 Favored Glycine 0 N--CA 1.453 -0.205 0 C-N-CA 121.34 -0.457 . . . . 0.0 112.079 -179.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' O ' ' HB2' ' A' ' 22' ' ' MET . 8.1 tp60 -59.32 -39.83 84.32 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HB2' ' O ' ' A' ' 15' ' ' SER . 0.0 OUTLIER -52.14 -42.15 63.12 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.638 178.903 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.536 ' O ' ' HG2' ' A' ' 24' ' ' GLN . 31.3 ttm180 -75.94 -58.66 3.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.678 -178.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 22' ' ' MET . 16.3 ptmt -58.41 -45.2 88.89 Favored 'General case' 0 N--CA 1.464 0.246 0 C-N-CA 120.904 -0.318 . . . . 0.0 111.36 -175.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.524 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 2.3 ttt -61.74 -54.49 41.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.29 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.95 -31.17 64.71 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 111.76 0.282 . . . . 0.0 111.76 -177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 20' ' ' ARG . 32.2 mm-40 -74.78 -48.32 26.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -72.63 -32.66 66.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.015 -0.539 . . . . 0.0 112.2 -174.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.452 HD21 ' HG2' ' A' ' 22' ' ' MET . 0.4 OUTLIER -134.48 86.54 34.63 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-O 121.564 0.697 . . . . 0.0 111.173 175.892 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 26' ' ' ASN . 37.8 Cg_endo -64.85 -4.4 8.62 Favored 'Trans proline' 0 N--CA 1.477 0.513 0 C-N-CA 123.634 2.889 . . . . 0.0 114.01 -174.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.3 tmtm? -77.06 -24.94 51.92 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.171 0.51 . . . . 0.0 109.889 177.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 30.8 ttm -95.4 125.89 40.33 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.492 -179.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 80.1 m-70 -88.26 -78.27 0.33 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 112.162 -170.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.445 ' HB2' ' HE ' ' A' ' 19' ' ' ARG . 10.1 p30 -167.72 -32.07 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.882 0.327 . . . . 0.0 111.882 -174.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.4 p -72.68 -40.38 66.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.25 0.548 . . . . 0.0 109.6 179.162 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -65.37 -37.74 87.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.344 -0.844 . . . . 0.0 108.873 176.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.466 HG21 ' HD3' ' A' ' 19' ' ' ARG . 28.5 mm -55.61 -41.45 64.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 114.931 -1.031 . . . . 0.0 109.682 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.6 m -67.79 -32.65 73.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.889 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -73.22 -52.99 12.04 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.878 -176.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 98.9 mtt180 -66.14 -36.06 82.13 Favored 'General case' 0 C--O 1.223 -0.33 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.635 ' HG ' ' CZ3' ' A' ' 14' ' ' TRP . 4.8 tt -60.7 -45.02 95.8 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.935 0.398 . . . . 0.0 110.889 -178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -70.47 -35.16 68.32 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.942 178.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.53 -38.26 83.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.484 178.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.527 ' O ' ' HB3' ' A' ' 45' ' ' LEU . 80.4 mm-40 -63.11 -51.38 66.77 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 116.145 -0.48 . . . . 0.0 109.925 177.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' HA ' HD22 ' A' ' 45' ' ' LEU . 30.1 t-105 -56.72 -27.85 59.95 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.936 0.398 . . . . 0.0 111.306 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -68.87 -40.37 79.31 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 122.242 -0.286 . . . . 0.0 110.796 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 44' ' ' LEU . 26.5 tp -119.95 17.74 12.53 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -174.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' HB3' ' O ' ' A' ' 41' ' ' GLU . 1.1 pt? -76.06 143.29 41.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.319 0.58 . . . . 0.0 111.884 -172.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.5 p -92.68 176.81 6.31 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.568 172.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -64.42 -27.76 69.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.253 -178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 10.0 t -63.52 -30.73 71.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.801 0.334 . . . . 0.0 110.554 179.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.574 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 26.7 mm-40 -86.49 -15.54 39.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.315 179.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.657 ' HD2' ' O ' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -27.89 62.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.414 0.626 . . . . 0.0 109.556 177.757 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.57 HH12 ' HB2' ' A' ' 55' ' ' ASP . 51.1 tpt85 -60.19 -52.13 75.45 Favored Pre-proline 0 CA--C 1.542 0.666 0 N-CA-C 112.901 0.704 . . . . 0.0 112.901 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.574 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 25.5 Cg_exo -63.25 -18.97 67.4 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.908 1.739 . . . . 0.0 113.515 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.784 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 21.5 m-85 -58.11 -41.17 82.99 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.862 0.839 . . . . 0.0 109.898 173.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.1 mm -79.01 -31.22 14.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 114.807 -1.088 . . . . 0.0 109.357 -171.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.57 ' HB2' HH12 ' A' ' 51' ' ' ARG . 0.7 OUTLIER -69.36 -38.89 78.31 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.541 -177.507 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' ' OE1' ' A' ' 56' ' ' GLU . 44.8 mm-40 -66.3 -33.69 76.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.209 176.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.43 77.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.21 174.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 50.1 mtmt -67.42 -41.63 84.51 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.574 175.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 59' ' ' ARG . 0.7 OUTLIER -59.3 -48.24 82.35 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.77 0.319 . . . . 0.0 110.789 177.747 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.51 -49.16 78.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.234 -179.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -68.28 -33.77 74.97 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 121.062 -0.255 . . . . 0.0 111.116 -176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 -42.92 91.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.846 0.355 . . . . 0.0 110.979 179.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 93.0 mt -69.8 -24.6 63.51 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.801 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -80.61 -45.54 17.14 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.441 178.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 27.5 ptt? -75.08 -15.5 60.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.457 -176.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 58.7 tttm -59.75 -48.43 81.73 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 175.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 57.15 -164.41 0.16 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.925 178.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.2 p80 -136.08 155.04 77.84 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.492 -0.776 . . . . 0.0 109.38 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.2 176.73 5.96 Favored 'Trans proline' 0 C--O 1.236 0.417 0 C-N-CA 122.346 2.031 . . . . 0.0 112.107 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -80.74 8.27 8.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.773 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.5 t80 -62.72 100.09 0.18 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.993 -178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 95.5 mttt 65.69 17.72 10.97 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.654 178.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -65.6 118.09 9.02 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 170.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 37.2 mmt180 -94.34 144.53 28.15 Favored Pre-proline 0 C--N 1.319 -0.72 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 29.6 Cg_exo -61.6 101.57 0.21 Allowed 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.553 2.169 . . . . 0.0 112.089 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 51.0 mtp180 -66.31 -59.33 3.81 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 77' ' ' ARG . 2.7 tpp180 -166.7 86.95 0.3 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.426 -0.807 . . . . 0.0 109.544 174.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -166.74 -47.95 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.717 178.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.4 m -72.11 80.43 0.95 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-O 121.331 0.586 . . . . 0.0 110.435 176.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -149.27 91.32 1.82 Allowed 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 C--O 1.247 0.923 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.036 -176.308 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.6 t . . . . . 0 N--CA 1.478 0.963 0 CA-C-O 120.795 0.331 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.4 ' HB2' ' NE ' ' A' ' 20' ' ' ARG . 15.4 t70 -73.42 156.14 38.59 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 172.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 -72.57 122.85 22.05 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -179.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.0 m -105.81 148.5 10.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 121.478 0.656 . . . . 0.0 112.342 -171.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -130.44 165.43 22.63 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 172.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 6' ' ' ARG . 29.7 mtm180 -67.66 151.07 97.5 Favored Pre-proline 0 C--N 1.323 -0.583 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.031 -177.336 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_exo -39.3 138.25 0.74 Allowed 'Trans proline' 0 C--N 1.353 0.809 0 C-N-CA 124.488 3.458 . . . . 0.0 114.484 -176.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.1 tpt -143.89 168.96 18.72 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.012 -176.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -58.7 154.93 13.6 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.014 0.435 . . . . 0.0 111.172 178.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -48.49 -30.57 5.31 Favored 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 114.876 1.435 . . . . 0.0 114.876 -171.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.423 ' HD1' ' CE3' ' A' ' 42' ' ' TRP . 59.0 t80 -56.89 -51.28 69.71 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-N 118.561 0.619 . . . . 0.0 111.108 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -68.33 -35.84 78.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.388 0.613 . . . . 0.0 109.589 179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' HG3' ' A' ' 56' ' ' GLU . 87.5 t -55.22 -56.05 13.37 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 114.946 -1.024 . . . . 0.0 111.067 179.346 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.447 ' CZ3' ' HG ' ' A' ' 38' ' ' LEU . 20.0 t90 -63.97 -27.68 69.3 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.293 -178.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.476 ' HA ' HD23 ' A' ' 38' ' ' LEU . 50.2 m -58.89 -54.02 51.86 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-O 121.216 0.532 . . . . 0.0 109.615 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.7 ptm85 -78.87 -34.94 44.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.621 -179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.68 -45.35 45.11 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 121.26 -0.495 . . . . 0.0 112.425 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.487 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 51.6 tp60 -65.56 -39.0 91.19 Favored 'General case' 0 CA--C 1.517 -0.313 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 176.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -52.81 -49.29 65.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.751 175.007 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.47 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 19.9 mmt180 -77.28 -43.43 33.3 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.051 0.76 . . . . 0.0 113.051 -173.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' HG2' ' HA ' ' A' ' 18' ' ' GLN . 10.5 ptpp? -63.74 -35.4 80.44 Favored 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 119.992 -0.683 . . . . 0.0 110.038 178.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 21.6 ttp -74.12 -30.92 62.54 Favored 'General case' 0 C--O 1.223 -0.311 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.399 176.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.92 -26.15 65.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.83 0.348 . . . . 0.0 110.933 178.091 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.98 -20.67 41.39 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.111 0.482 . . . . 0.0 110.167 177.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -88.71 -46.8 8.72 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.935 179.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.64 90.02 3.72 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.472 -176.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -74.47 -2.11 11.95 Favored 'Trans proline' 0 CA--C 1.529 0.233 0 C-N-CA 124.06 3.174 . . . . 0.0 114.023 -173.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 13.9 mtpp -77.11 -3.29 38.59 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 -173.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -78.97 159.69 27.55 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.7 0.286 . . . . 0.0 110.769 -178.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.491 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 21.2 m80 -97.97 -84.32 0.39 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.685 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.9 p30 178.83 -31.82 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.483 -179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.572 ' O ' ' HG2' ' A' ' 36' ' ' LYS . 16.3 m -61.59 -47.39 85.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.029 0.442 . . . . 0.0 110.201 177.666 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' OE1' ' HB2' ' A' ' 30' ' ' HIS . 0.9 OUTLIER -63.78 -39.81 95.16 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.384 -178.774 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -58.83 -36.87 63.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 114.847 -1.07 . . . . 0.0 109.891 178.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 21.0 m -71.41 -34.71 70.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.265 -179.247 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' A' ' 32' ' ' SER . 70.5 mmtt -73.81 -47.91 35.25 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.997 -178.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 40.6 mtt180 -61.72 -54.11 46.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.307 -178.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD23 ' HA ' ' A' ' 15' ' ' SER . 10.6 mp -60.99 -40.95 95.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.404 -175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -62.77 -40.84 99.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.141 177.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.15 -35.64 71.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.712 0.292 . . . . 0.0 111.143 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 6.5 mm-40 -72.51 -25.1 61.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.915 -178.32 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CE3' ' HD1' ' A' ' 11' ' ' PHE . 21.5 t-105 -75.97 -39.13 56.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 172.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -62.46 -38.53 90.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.142 0.496 . . . . 0.0 110.271 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 15.4 tp -109.56 40.71 1.82 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.626 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.562 HD11 ' HB2' ' A' ' 50' ' ' LYS . 3.2 tm? -60.74 117.27 5.16 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.664 -175.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 17.7 m -91.62 141.69 28.43 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.077 -0.965 . . . . 0.0 109.314 170.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -61.49 -24.68 66.75 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -174.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 13.1 t -64.93 -31.16 72.27 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-O 120.733 0.301 . . . . 0.0 110.521 176.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -88.13 -22.98 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.921 0.391 . . . . 0.0 110.448 179.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.657 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 1.8 tmtp? -59.0 -34.48 71.91 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.199 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 27.9 tpt180 -60.77 -57.38 26.89 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.665 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 17.8 Cg_endo -60.55 -16.13 40.69 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 121.486 1.457 . . . . 0.0 113.255 -177.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.657 ' HB2' ' O ' ' A' ' 50' ' ' LYS . 5.6 m-85 -56.12 -42.64 77.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 121.815 0.817 . . . . 0.0 109.596 174.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.0 mm -81.28 -32.11 11.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.892 -171.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' HA ' ' CE ' ' A' ' 58' ' ' LYS . 0.1 OUTLIER -71.05 -43.88 66.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.774 -173.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 52' ' ' PRO . 4.9 pt-20 -72.34 -30.92 65.19 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.903 176.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.513 ' N ' HG11 ' A' ' 13' ' ' VAL . . . -55.84 -44.6 78.12 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 121.37 0.605 . . . . 0.0 110.435 172.005 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' CE ' ' HA ' ' A' ' 55' ' ' ASP . 52.5 mtmt -65.1 -33.71 76.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.283 178.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.512 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 6.5 mpt_? -57.83 -53.27 60.05 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.828 0.307 . . . . 0.0 111.828 177.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 61' ' ' ARG . 3.8 pp -67.92 -28.58 67.61 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.663 -0.415 . . . . 0.0 111.286 -176.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 65' ' ' MET . 60.4 ttp180 -66.0 -42.8 89.3 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 174.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HA ' ' CE ' ' A' ' 65' ' ' MET . . . -64.42 -38.16 90.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.703 178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 96.8 mt -58.39 -37.54 75.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.335 177.301 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 27.1 t60 -79.73 -24.13 41.83 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.884 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.449 ' HG3' ' O ' ' A' ' 61' ' ' ARG . 70.8 mtm -75.86 -31.44 59.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.912 178.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -84.41 -30.79 25.07 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 174.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 68.69 173.08 0.29 Allowed 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.825 173.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -119.79 82.86 27.98 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.59 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -69.14 -18.35 39.98 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.87 2.38 . . . . 0.0 112.966 -176.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -82.4 -24.96 34.14 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.715 -174.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -123.87 129.23 50.66 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.181 0.515 . . . . 0.0 111.809 -175.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -90.67 -164.46 1.18 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.971 -178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -73.94 108.99 7.09 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 121.418 0.628 . . . . 0.0 110.484 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 74' ' ' ARG . 12.1 mmt85 -86.71 146.27 40.94 Favored Pre-proline 0 C--N 1.318 -0.763 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.882 171.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 52.8 Cg_exo -55.39 98.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.106 2.537 . . . . 0.0 113.34 -176.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 4.2 ttm180 -96.88 -67.21 0.86 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.053 175.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.5 ptm85 -139.22 12.88 2.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.52 170.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.1 94.87 5.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.241 179.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.1 p -119.61 -69.65 0.83 Allowed 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.131 0.491 . . . . 0.0 109.999 174.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.5 ' O ' ' HB ' ' A' ' 81' ' ' THR . 23.0 ttpp -61.03 -44.1 97.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.023 -0.989 . . . . 0.0 112.115 -179.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 95.1 m . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.704 -0.665 . . . . 0.0 109.732 -168.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.702 0.286 . . . . 0.0 111.393 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -92.38 -1.56 56.94 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.693 0.283 . . . . 0.0 111.525 -176.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 71.9 mtt-85 -98.27 129.75 44.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.758 0.313 . . . . 0.0 110.282 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.38 176.75 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.736 -174.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -115.37 140.23 49.31 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.854 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' HD3' HH11 ' A' ' 6' ' ' ARG . 55.5 mtt-85 -87.56 149.76 47.14 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.117 -177.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 6' ' ' ARG . 24.6 Cg_exo -63.85 121.66 9.45 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.81 2.34 . . . . 0.0 111.014 171.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.577 ' HG2' ' SD ' ' A' ' 12' ' ' MET . 12.9 tpt -138.92 169.39 17.88 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.698 -0.853 . . . . 0.0 108.698 -175.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -59.74 175.58 0.36 Allowed 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.208 0.528 . . . . 0.0 111.764 179.383 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.518 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.13 -43.0 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 115.113 1.523 . . . . 0.0 115.113 -173.085 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.409 ' HA ' ' CZ3' ' A' ' 42' ' ' TRP . 78.0 t80 -57.06 -49.86 74.54 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 118.748 0.704 . . . . 0.0 111.835 -173.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.577 ' SD ' ' HG2' ' A' ' 8' ' ' MET . 63.6 mtt -74.86 -33.71 62.15 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.615 -0.434 . . . . 0.0 110.003 -179.061 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 57' ' ' ALA . 66.4 t -51.94 -55.4 9.71 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.701 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.145 176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.651 ' HH2' ' HB2' ' A' ' 41' ' ' GLU . 18.8 t90 -70.38 -26.46 63.72 Favored 'General case' 0 N--CA 1.441 -0.892 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.838 -178.107 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.7 t -58.75 -57.94 10.79 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 178.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -30.14 50.75 Favored 'General case' 0 C--O 1.225 -0.214 0 C-N-CA 119.657 -0.817 . . . . 0.0 110.792 179.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -65.18 -47.03 85.44 Favored Glycine 0 C--O 1.227 -0.322 0 C-N-CA 121.425 -0.417 . . . . 0.0 112.554 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.1 tp60 -62.03 -42.05 98.75 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 178.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -59.75 -43.68 94.16 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.646 173.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 21.0 mmm180 -67.3 -57.93 5.76 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.956 -178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -41.46 98.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.672 -0.24 . . . . 0.0 111.341 -174.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 48.7 tpp -63.03 -51.86 65.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.654 0.264 . . . . 0.0 110.75 -176.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -30.86 71.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.723 -176.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -81.45 -34.12 31.63 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.485 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -78.56 -49.44 13.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.873 0.368 . . . . 0.0 111.3 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.539 HD22 ' N ' ' A' ' 26' ' ' ASN . 0.0 OUTLIER -160.61 86.81 1.82 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-O 121.44 0.638 . . . . 0.0 110.72 -173.624 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.41 63.55 3.63 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.452 2.101 . . . . 0.0 112.522 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HG3' ' SD ' ' A' ' 29' ' ' MET . 50.9 pttt -85.17 -27.41 26.17 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 175.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.416 ' SD ' ' HG3' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -111.89 163.96 13.63 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.143 171.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -88.1 -75.22 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 111.626 0.232 . . . . 0.0 111.626 -174.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.467 ' HA ' HD12 ' A' ' 34' ' ' ILE . 7.7 p30 -168.27 -40.99 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.35 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -177.336 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 m -66.45 -39.99 89.16 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.101 0.477 . . . . 0.0 110.18 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -63.6 -40.15 96.2 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.467 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD12 ' HA ' ' A' ' 31' ' ' ASN . 54.4 mt -58.0 -37.38 60.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.226 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.101 177.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.9 m -73.27 -30.58 63.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.849 -178.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -73.64 -43.37 59.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.116 179.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.495 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 48.6 mtt180 -68.21 -35.56 78.16 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.157 175.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.7 tp -49.96 -55.68 13.59 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 123.352 0.407 . . . . 0.0 111.195 178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -63.72 -40.09 98.17 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.935 -0.65 . . . . 0.0 112.308 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.48 86.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.695 0.283 . . . . 0.0 111.455 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.651 ' HB2' ' HH2' ' A' ' 14' ' ' TRP . 50.9 mt-10 -78.07 -37.38 46.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.409 ' CZ3' ' HA ' ' A' ' 11' ' ' PHE . 18.5 t-105 -60.87 -30.08 69.93 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.485 175.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 20.2 tptt -58.72 -25.08 62.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.784 0.325 . . . . 0.0 110.984 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.4 tp -117.26 21.96 12.8 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-O 121.152 0.501 . . . . 0.0 110.544 -179.479 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 67.4 tp -63.65 113.9 3.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.9 0.381 . . . . 0.0 111.424 -177.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.711 ' HB2' ' OE1' ' A' ' 49' ' ' GLU . 15.9 m -94.67 177.01 6.06 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.515 174.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -72.16 -38.86 69.06 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.47 0.545 . . . . 0.0 112.47 -174.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 14.7 t -69.95 -29.28 66.37 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.71 -0.796 . . . . 0.0 109.751 178.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.711 ' OE1' ' HB2' ' A' ' 46' ' ' SER . 11.0 mp0 -71.01 -15.71 62.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.902 174.068 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 33.4 ttmt -73.74 -14.78 61.19 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 121.21 0.529 . . . . 0.0 111.113 -177.207 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.566 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 10.4 tpp180 -58.53 -52.92 71.22 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 113.485 0.921 . . . . 0.0 113.485 -171.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.566 ' HD3' ' HB3' ' A' ' 51' ' ' ARG . 16.5 Cg_exo -66.61 -22.21 51.22 Favored 'Trans proline' 0 C--N 1.351 0.707 0 C-N-CA 121.538 1.492 . . . . 0.0 112.869 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.518 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 37.3 m-85 -60.14 -37.67 80.8 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.466 0.65 . . . . 0.0 110.056 175.164 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.9 mm -79.87 -31.7 13.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 121.752 0.786 . . . . 0.0 108.908 -172.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.554 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 15.7 t70 -67.16 -53.48 30.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 114.967 -1.015 . . . . 0.0 110.802 -178.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.436 ' HB3' ' CG1' ' A' ' 13' ' ' VAL . 42.3 tp10 -62.07 -31.06 71.44 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.977 179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.08 -43.47 87.06 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.263 175.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 55' ' ' ASP . 43.1 mtmt -65.91 -35.83 81.7 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.145 0.497 . . . . 0.0 110.077 177.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.535 ' O ' ' HG ' ' A' ' 63' ' ' LEU . 42.5 ttt180 -60.95 -47.39 86.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.33 178.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.2 mt -60.58 -38.82 85.86 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.102 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -58.23 -48.98 78.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.193 175.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' HA ' ' HG2' ' A' ' 65' ' ' MET . . . -65.73 -36.08 82.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.314 -179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 59' ' ' ARG . 91.9 mt -66.06 -41.07 91.29 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.53 -178.702 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.647 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 10.4 t60 -83.22 -22.01 33.26 Favored 'General case' 0 C--N 1.314 -0.936 0 C-N-CA 119.222 -0.991 . . . . 0.0 111.657 178.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.595 ' HG2' ' HA ' ' A' ' 62' ' ' ALA . 22.2 ptm -78.67 -16.94 56.7 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.572 -0.451 . . . . 0.0 111.013 -177.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -79.25 4.65 14.39 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 121.205 0.526 . . . . 0.0 111.22 173.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.647 ' HB2' ' O ' ' A' ' 64' ' ' HIS . 0.6 OUTLIER -71.1 -164.53 0.1 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.837 171.356 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 72.9 m-70 -88.21 143.31 32.59 Favored Pre-proline 0 C--N 1.322 -0.606 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 173.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 23.6 Cg_exo -63.82 150.81 87.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.72 2.28 . . . . 0.0 112.557 -177.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -91.07 22.92 3.46 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.963 178.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -65.7 103.88 0.96 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.188 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -127.81 21.13 6.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.081 179.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -98.64 113.54 25.64 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.36 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 75' ' ' PRO . 19.9 ptt180 -72.63 148.38 90.12 Favored Pre-proline 0 C--N 1.324 -0.513 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.346 174.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 74' ' ' ARG . 16.6 Cg_exo -68.74 122.2 9.13 Favored 'Trans proline' 0 N--CA 1.466 -0.135 0 C-N-CA 122.797 2.331 . . . . 0.0 112.261 179.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 63.0 mtt85 -69.84 -45.17 68.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.698 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -104.99 -78.08 0.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 174.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 79' ' ' THR . 21.9 pttp -168.07 -47.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.043 -1.095 . . . . 0.0 108.043 175.445 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.461 ' N ' ' HG3' ' A' ' 78' ' ' LYS . 3.6 p -156.41 177.04 11.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.35 -1.296 . . . . 0.0 107.626 175.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.659 ' H ' ' HD3' ' A' ' 80' ' ' LYS . 0.2 OUTLIER -88.05 3.81 47.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.652 0.739 . . . . 0.0 109.789 172.679 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.7 m . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.216 176.338 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.8 m . . . . . 0 N--CA 1.476 0.834 0 CA-C-O 120.772 0.32 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -133.0 170.25 15.65 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.486 -175.247 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -74.55 124.13 26.06 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 170.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 19.8 m -67.01 124.28 21.9 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.369 -175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.535 ' CB ' ' HB3' ' A' ' 64' ' ' HIS . 0.1 OUTLIER -69.23 96.64 0.85 Allowed 'General case' 0 N--CA 1.449 -0.489 0 N-CA-C 106.673 -1.602 . . . . 0.0 106.673 167.4 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -80.04 144.95 60.03 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 113.048 0.759 . . . . 0.0 113.048 -162.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -77.09 150.15 29.23 Favored 'Trans proline' 0 N--CA 1.45 -1.086 0 C-N-CA 122.274 1.983 . . . . 0.0 109.141 160.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.554 ' HG3' ' HB2' ' A' ' 12' ' ' MET . 0.0 OUTLIER -119.05 169.68 9.7 Favored 'General case' 0 C--N 1.311 -1.092 0 CA-C-O 120.668 0.27 . . . . 0.0 110.916 -176.237 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' O ' HG23 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -68.25 163.33 23.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.768 176.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.453 ' HB1' ' HB3' ' A' ' 53' ' ' PHE . . . -45.21 -46.95 12.57 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 114.131 1.16 . . . . 0.0 114.131 -174.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -55.08 -49.88 70.57 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 121.169 0.509 . . . . 0.0 111.767 -175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.554 ' HB2' ' HG3' ' A' ' 8' ' ' MET . 62.1 mtt -71.61 -40.37 69.84 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.308 -178.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.528 HG21 ' HB2' ' A' ' 57' ' ' ALA . 71.8 t -52.87 -51.08 40.08 Favored 'Isoleucine or valine' 0 CA--C 1.508 -0.639 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.819 -179.554 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.541 ' CE3' ' HG ' ' A' ' 38' ' ' LEU . 2.3 t90 -69.09 -32.09 71.27 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.515 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.508 ' HA ' HD23 ' A' ' 38' ' ' LEU . 8.7 t -63.44 -54.24 39.63 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.153 -0.619 . . . . 0.0 109.535 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 78.3 mtt180 -71.09 -48.16 54.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.049 -179.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.84 -48.12 56.82 Favored Glycine 0 N--CA 1.454 -0.107 0 CA-C-N 115.973 -0.558 . . . . 0.0 113.492 -173.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.592 ' HA ' ' HG2' ' A' ' 21' ' ' LYS . 53.0 tp60 -67.43 -38.53 84.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 117.234 0.517 . . . . 0.0 109.996 -177.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.734 ' HG2' HD12 ' A' ' 34' ' ' ILE . 4.0 tmm_? -66.29 -36.16 82.25 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-O 121.028 0.442 . . . . 0.0 110.242 176.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.1 tpt85 -71.47 -44.86 63.98 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.441 -178.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HA ' ' HG2' ' A' ' 24' ' ' GLN . 0.4 OUTLIER -68.75 -39.56 80.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 120.859 -0.336 . . . . 0.0 111.339 -179.515 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 46.9 mtt -57.94 -38.94 76.86 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.252 176.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.31 83.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.726 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.609 ' HG2' ' HA ' ' A' ' 21' ' ' LYS . 3.8 pt20 -83.72 -33.37 25.11 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.844 -0.343 . . . . 0.0 111.405 -179.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 84.8 mt-10 -77.42 -46.04 23.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.764 0.316 . . . . 0.0 111.124 -178.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.63 86.36 1.11 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 120.99 0.424 . . . . 0.0 110.925 -177.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.13 64.96 3.45 Favored 'Trans proline' 0 CA--C 1.533 0.437 0 C-N-CA 123.062 2.508 . . . . 0.0 113.127 -176.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -103.19 -6.83 21.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.265 0.555 . . . . 0.0 109.979 177.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.423 ' HG2' HD11 ' A' ' 34' ' ' ILE . 0.8 OUTLIER -129.24 134.88 48.18 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.287 175.67 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -115.62 108.07 15.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -170.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.1 m120 62.5 -85.89 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 113.875 1.065 . . . . 0.0 113.875 168.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.4 p -57.71 -46.74 83.97 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -168.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -54.26 -53.75 49.36 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.262 -176.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.734 HD12 ' HG2' ' A' ' 19' ' ' ARG . 41.0 mt -57.11 -42.15 79.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.618 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.2 p -73.16 -30.55 63.65 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.291 -0.563 . . . . 0.0 111.292 -172.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.99 -48.32 18.3 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.143 0.496 . . . . 0.0 110.157 -176.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 41' ' ' GLU . 82.9 mtt85 -67.5 -33.99 76.23 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.885 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.572 HD21 ' HB3' ' A' ' 18' ' ' GLN . 2.8 mp -59.11 -41.19 87.57 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.649 0.261 . . . . 0.0 110.995 176.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.03 -43.32 98.32 Favored Glycine 0 C--O 1.237 0.34 0 C-N-CA 120.543 -0.837 . . . . 0.0 111.813 175.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.45 78.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.589 0.233 . . . . 0.0 110.713 177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.643 ' HG2' ' O ' ' A' ' 37' ' ' ARG . 7.4 mm-40 -65.31 -38.89 91.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.441 178.642 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.531 ' HA ' ' HB2' ' A' ' 45' ' ' LEU . 29.1 t-105 -62.8 -36.38 82.94 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.714 178.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -62.33 -23.63 66.88 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.709 0.29 . . . . 0.0 111.595 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.8 mp -117.4 20.58 13.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.743 0.306 . . . . 0.0 110.624 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 42' ' ' TRP . 63.6 tp -65.22 127.55 32.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 112.131 -173.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.541 ' HB2' ' HG2' ' A' ' 49' ' ' GLU . 19.5 m -89.66 146.5 24.49 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.09 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.796 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -70.78 -22.19 62.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.897 0.38 . . . . 0.0 111.43 179.354 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.401 HG22 ' HB3' ' A' ' 46' ' ' SER . 4.8 t -61.22 -28.78 69.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.217 0.532 . . . . 0.0 109.88 169.722 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.663 ' O ' ' HD2' ' A' ' 52' ' ' PRO . 15.3 mm-40 -86.92 -11.96 49.1 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.982 -175.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.796 ' HG3' ' O ' ' A' ' 47' ' ' GLU . 1.1 pptp? -70.71 -14.21 62.36 Favored 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -171.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HB3' ' HD3' ' A' ' 52' ' ' PRO . 6.5 tpt180 -57.92 -57.5 25.28 Favored Pre-proline 0 CA--C 1.535 0.382 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -177.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.663 ' HD2' ' O ' ' A' ' 49' ' ' GLU . 36.9 Cg_exo -61.41 -21.69 72.54 Favored 'Trans proline' 0 C--N 1.353 0.777 0 C-N-CA 121.578 1.519 . . . . 0.0 113.502 -175.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.529 ' CD2' ' HB2' ' A' ' 14' ' ' TRP . 64.7 m-85 -60.71 -41.0 94.34 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.935 0.874 . . . . 0.0 109.338 172.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' ' HG2' ' A' ' 58' ' ' LYS . 48.4 mm -83.78 -33.28 9.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-N 114.887 -1.051 . . . . 0.0 108.602 -175.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' HB3' ' HA ' ' A' ' 52' ' ' PRO . 25.1 t70 -67.12 -44.14 80.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.391 -1.277 . . . . 0.0 110.665 -178.18 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.557 ' OE1' ' HD2' ' A' ' 59' ' ' ARG . 8.8 mm-40 -67.82 -32.99 73.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.221 176.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB2' HG21 ' A' ' 13' ' ' VAL . . . -58.47 -36.61 73.98 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.839 0.352 . . . . 0.0 110.662 175.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' ' 54' ' ' ILE . 74.4 mmtt -67.9 -40.08 83.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.281 177.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.557 ' HD2' ' OE1' ' A' ' 56' ' ' GLU . 64.0 mtt85 -66.88 -37.8 85.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.604 178.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 56' ' ' GLU . 92.1 mt -59.85 -44.19 94.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 175.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttt180 -56.78 -47.24 80.62 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.643 177.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.43 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.34 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.425 ' O ' ' HG3' ' A' ' 66' ' ' LYS . 96.7 mt -68.29 -37.49 80.71 Favored 'General case' 0 CA--C 1.508 -0.667 0 CA-C-O 121.044 0.449 . . . . 0.0 110.646 -176.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.535 ' HB3' ' CB ' ' A' ' 5' ' ' LYS . 34.8 m-70 -79.97 -21.02 44.19 Favored 'General case' 0 C--N 1.312 -1.036 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.191 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 23.9 ptm -86.65 -21.23 26.86 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.855 177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 63' ' ' LEU . 0.0 OUTLIER -89.74 -21.0 22.89 Favored 'General case' 0 C--O 1.234 0.251 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.625 -179.043 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 64' ' ' HIS . 7.9 pt-20 -72.59 129.27 37.9 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 174.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.426 ' HA ' ' HD3' ' A' ' 69' ' ' PRO . 62.5 m-70 -60.48 147.11 83.58 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.388 -172.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 68' ' ' HIS . 1.3 Cg_endo -85.32 -174.53 1.7 Allowed 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.829 3.019 . . . . 0.0 112.746 178.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.631 ' OD2' ' HG2' ' A' ' 72' ' ' LYS . 17.8 t70 -114.77 -33.17 5.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.085 -176.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.2 p90 44.54 48.16 8.45 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 114.645 1.35 . . . . 0.0 114.645 174.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.631 ' HG2' ' OD2' ' A' ' 70' ' ' ASP . 7.4 ptpp? -110.95 3.43 18.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.372 0.606 . . . . 0.0 109.554 169.127 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -86.04 114.95 23.32 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.519 -175.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.439 HH11 ' HD2' ' A' ' 74' ' ' ARG . 65.5 mtt85 -62.55 145.22 95.23 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.39 171.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -68.63 111.79 2.68 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 122.106 1.87 . . . . 0.0 110.182 171.048 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -70.73 113.43 7.81 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 179.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 67.19 163.81 0.2 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.798 -168.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 20.1 pttp -79.35 -42.63 25.2 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.406 -0.518 . . . . 0.0 110.408 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 p -149.01 151.32 34.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.468 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -87.41 144.64 26.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.28 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.6 m . . . . . 0 C--O 1.248 0.981 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 173.472 . . . . . . . . 0 0 . 1 stop_ save_