data_2jq7_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 2jq7 _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 ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . 0.424 ' CB ' ' O ' ' A' ' 139' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.459 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.8 t . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 t . . . . . 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . 0.401 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.409 ' N ' ' CD ' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD2' ' NZ ' ' A' ' 112' ' ' LYS . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 16.9 m -116.07 135.07 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.651 -0.69 . . . . 10.0 109.995 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 100.306 -1.327 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.58 " O5'" ' C6 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C1'-C2'-O2' 108.57 -0.677 . 0.234 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C4'-C3' 104.259 -0.886 . 0.201 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.276 -1.589 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.009 1.149 . 0.319 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . 0.518 ' C5 ' ' C5 ' ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-O2' 110.591 -0.934 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . 0.518 ' C5 ' ' C5 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-O2' 110.883 -0.833 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 103.688 0.988 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . 0.43 ' O2 ' " C2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 116.152 1.72 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-O2' 110.474 -0.975 . 0.01 4p . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 108.379 1.414 . 0.129 2h . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.512 ' N2 ' ' O2 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 108.71 1.65 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . 0.415 ' O2 ' ' N1 ' ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.178 0.978 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.958 1.113 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.926 1.226 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . 0.419 " C2'" " O5'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 108.112 1.223 . 0.03 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . 0.419 " O5'" " C2'" ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-C2' 108.153 1.252 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.176 1.11 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.992 1.292 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.907 1.076 . 0.01 0a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.885 1.061 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.751 0.965 . 0.507 5j . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . 0.415 ' N1 ' ' O2 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.947 1.105 . 0.635 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.512 ' O2 ' ' N2 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 111.026 -0.784 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . 0.435 ' C6 ' " O5'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-O2' 110.939 -0.814 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . 0.406 " O4'" " C2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-C2' 108.214 1.296 . 0.122 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.605 0.861 . 0.313 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.686 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 105.244 2.544 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.772 0.98 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 108.135 1.239 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-O2' 111.034 -0.781 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.955 1.111 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 108.237 1.312 . 0.077 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.746 0.962 . 0.012 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 108.709 1.649 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.686 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C4'--C3' 1.533 0.816 0 C4'-C3'-C2' 103.959 1.259 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 104.426 1.726 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.451 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.787 0.991 . 0.0 OUTLIER '7D dist 4g' 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C4'-C3' 103.806 -1.21 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-O2' 111.091 -0.762 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 110.852 -0.844 . 0.712 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.543 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 108.234 1.31 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.47 ' C6 ' ' O ' ' C' ' 6' ' ' BB9 . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-O2' 110.916 -0.822 . 0.189 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.543 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 100.491 -1.121 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.622 1.587 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 102.986 -1.795 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 102.979 -1.801 . 0.054 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.451 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C4'-C3' 104.287 -0.866 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.115 -0.753 . 0.452 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 C3'-C2'-O2' 111.079 -0.766 . 0.384 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . 0.461 ' C6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C3'-C2'-C1' 100.72 -0.867 . 0.389 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.602 0.859 . 0.048 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 O4'-C4'-C3' 103.698 -1.287 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 102.67 -2.021 . 0.811 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C4'-C3' 102.511 -2.135 . 0.682 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.703 0.287 . . . . 10.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.65 79.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.479 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -129.67 114.21 15.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 119.105 0.866 . . . . 10.0 109.907 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 70.93 100.35 0.06 Allowed 'General case' 0 CA--C 1.446 -3.04 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.792 -175.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.47 ' O ' ' C6 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -162.49 164.59 26.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.161 -2.29 . . . . 10.0 110.269 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . 0.552 ' O ' ' C ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . 0.552 ' C ' ' O ' ' C' ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -137.41 -174.14 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.767 -2.015 . . . . 10.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 119.484 1.038 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -143.57 -171.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.523 -0.751 . . . . 10.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-O2' 110.771 -0.872 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C3'-C2'-O2' 111.001 -0.793 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.688 -0.901 . 0.01 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.466 1.476 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 110.61 -0.928 . 0.46 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.965 1.118 . 0.178 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-O2' 110.535 -0.954 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.813 1.009 . 0.019 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.79 -1.221 . 0.01 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . 0.414 ' O2 ' " C2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 N19-C1'-C2' 116.217 1.76 . 0.0 OUTLIER '7D dist 5q' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C3'-C2'-C1' 100.377 -1.248 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 103.55 -1.393 . 0.106 2h . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.414 ' C6 ' ' C2 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.932 -0.817 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . 0.465 ' O2 ' ' N1 ' ' B' 1074 ' ' ' G' . . . . . . . . 0 O4'--C1' 1.397 -1.412 0 C4'-C3'-C2' 105.197 2.497 . 0.036 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . 0.471 ' N3 ' " O2'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-O2' 110.904 -0.826 . 0.091 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.244 1.317 . 0.016 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.945 1.104 . 0.443 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.356 -1.531 . 0.701 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . 0.471 " O2'" ' N3 ' ' B' 1065 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -0.971 0 C4'-C3'-C2' 104.698 1.998 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 103.952 1.252 . 0.0 OUTLIER '7D dist 6p' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . 0.521 " O5'" ' C5 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O4'--C4' 1.442 -0.955 0 O4'-C4'-C3' 103.064 -1.74 . 0.0 OUTLIER '7D dist 0a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.521 ' C5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-C2' 108.188 1.277 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C4'-C3'-C2' 103.772 1.072 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . 0.465 ' N1 ' ' O2 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 100.556 -1.048 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 OP1-P-O3' 109.791 0.747 . 0.07 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.843 1.031 . 0.545 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 108.23 1.307 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C4'-C3' 102.318 -2.273 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.669 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.878 1.178 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.82 1.014 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-O2' 110.732 -0.885 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.863 1.045 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.239 1.314 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C4'-C3' 103.625 -1.34 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 103.632 -1.334 . 0.058 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 103.215 1.905 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.669 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 104.841 2.141 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.096 1.211 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.408 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.745 0.961 . 0.0 OUTLIER '7D dist 2g wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . 0.402 " O4'" " C2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.166 -0.953 . 0.123 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.456 ' N4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 OP1-P-O3' 109.642 0.701 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 107.569 0.835 . 0.523 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.499 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 110.681 -0.903 . 0.269 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.561 ' C6 ' ' C6 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 108.02 1.157 . 0.496 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.561 ' C6 ' ' C6 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 99.796 -1.893 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.499 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 105.228 -0.837 . 0.012 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . 0.469 " C2'" " O4'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C5'-C4'-O4' 107.807 -0.995 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . 0.469 " O4'" " C2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 104.229 -0.908 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C4'-C3' 104.058 -1.03 . 0.601 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.408 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.52 -1.089 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 100.628 -0.968 . 0.103 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.792 0.994 . 0.689 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 100.518 -1.091 . 0.688 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 103.851 -1.178 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 103.403 -1.498 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C4'-C3' 103.373 -1.52 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.811 1.008 . 0.441 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.707 0.289 . . . . 10.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 162.75 12.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.34 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.49 126.99 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.901 0.773 . . . . 10.0 110.057 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 71.31 91.99 0.09 Allowed 'General case' 0 CA--C 1.447 -3.006 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.709 -177.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.424 ' N ' ' CA ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 7.9 m -153.11 149.28 27.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 112.677 -2.056 . . . . 10.0 111.863 -176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . 0.512 ' CD1' ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -114.8 -171.17 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 113.604 -1.635 . . . . 10.0 110.889 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.424 ' CA ' ' N ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 119.726 1.148 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.463 ' CD ' ' N ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.413 ' O ' ' N2 ' ' B' 1063 ' ' ' G' . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . 0.424 ' CB ' ' O ' ' A' ' 139' ' ' VAL . 7.8 p 144.21 -43.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.377 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.598 -1.359 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . 0.5 ' N3 ' ' N1 ' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C4'-C3' 104.32 -0.843 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . 0.41 ' C2 ' ' C8 ' ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.696 -2.003 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . 0.41 ' C8 ' ' C2 ' ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.858 -0.842 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C4'-C3' 102.875 -1.875 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 110.624 -0.923 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C1'-C2'-O2' 108.13 -0.823 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . 0.456 ' N2 ' ' O2 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 103.891 1.191 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . 0.468 ' O4 ' ' N6 ' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.702 1.438 . 0.0 OUTLIER '7D dist 5p wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 N19-C1'-C2' 115.357 1.223 . 0.489 4p . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 108.331 1.379 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.485 ' N2 ' ' O2 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-O2' 111.152 -0.741 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.064 0 O4'-C4'-C3' 102.236 -2.331 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 104.231 1.531 . 0.017 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 103.94 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.606 0.861 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.857 1.041 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.565 -1.039 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-O2' 111.069 -0.769 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C4'-C3'-C2' 104.419 1.719 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.492 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-C2'-O2' 108.569 -0.677 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.957 -0.808 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-O2' 110.854 -0.843 . 0.029 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.485 ' O2 ' ' N2 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.526 0.804 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-O2' 110.649 -0.914 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.714 0.938 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-O2' 110.638 -0.918 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.74 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 OP1-P-O3' 109.748 0.734 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . 0.438 " O4'" " C2'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 103.042 1.713 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.087 -1.723 . 0.061 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 107.698 0.927 . 0.407 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 108.098 1.213 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 108.206 1.29 . 0.06 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-C2' 108.068 1.191 . 0.015 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-C2' 107.65 0.893 . 0.217 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . 0.42 ' N1 ' ' O2 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 108.499 1.499 . 0.086 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.74 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.4 -1.166 0 C4'-C3'-C2' 105.545 2.845 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.165 1.261 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.476 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C3'-C2'-O2' 110.863 -0.84 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.694 -0.896 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.492 ' N4 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C4'-C3' 104.261 -0.885 . 0.746 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.143 1.245 . 0.696 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.617 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 108.569 1.549 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.428 ' N6 ' ' C6 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.938 1.098 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.428 ' C6 ' ' N6 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 100.426 -1.194 . 0.01 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.617 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 111.004 -0.792 . 0.485 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C4'-C3'-C2' 103.767 1.067 . 0.448 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C4'-C3' 103.545 -1.396 . 0.175 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 104.093 -1.005 . 0.935 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.476 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 100.528 -1.08 . 0.033 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . 0.42 ' O2 ' ' N1 ' ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.71 0.936 . 0.134 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-O2' 111.172 -0.734 . 0.063 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 100.673 -0.919 . 0.344 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 100.268 -1.368 . 0.587 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . 0.5 ' N1 ' ' N3 ' ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 103.085 -1.725 . 0.685 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 102.208 -2.351 . 0.127 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C4'-C3' 103.815 -1.204 . 0.247 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . 0.469 ' O15' ' CB ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.009 0.433 . . . . 10.0 110.984 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.57 27.15 13.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.228 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -132.78 123.85 26.95 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.458 1.026 . . . . 10.0 111.002 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.04 86.67 0.1 Allowed 'General case' 0 CA--C 1.448 -2.954 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.679 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.469 ' CB ' ' O15' ' C' ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 1.3 p -129.88 166.23 20.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.634 -2.075 . . . . 10.0 111.938 -178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . 0.445 ' CD1' ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 65.7 p -118.23 -176.6 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 112.968 -1.924 . . . . 10.0 109.847 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.444 ' CB ' ' N ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 119.63 1.104 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.459 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 19.0 m -120.91 152.41 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.506 -0.759 . . . . 10.0 110.278 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-O2' 110.984 -0.798 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.482 " O5'" ' C6 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-O2' 111.194 -0.726 . 0.598 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.857 1.041 . 0.551 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.541 -1.399 . 0.551 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.785 0.99 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . 0.476 ' N2 ' ' N4 ' ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 108.447 1.462 . 0.349 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-O2' 110.743 -0.882 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-O2' 110.928 -0.818 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.631 0.879 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 N19-C1'-C2' 115.964 1.602 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.017 -1.648 . 0.01 4p . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . 0.426 " O4'" ' C8 ' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.106 1.066 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.412 ' C6 ' ' C2 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.754 1.054 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . 0.412 ' C2 ' ' C6 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.441 -1.037 0 O4'-C4'-C3' 102.169 -2.379 . 0.328 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 104.08 1.38 . 0.196 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.677 0.912 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . 0.434 ' C6 ' ' N7 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-C2' 107.952 1.109 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . 0.434 ' N7 ' ' C6 ' ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C4'-C3' 104.076 -1.017 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 107.988 1.134 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . 0.65 " O5'" ' C5 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O4'--C4' 1.442 -0.909 0 O4'-C4'-C3' 102.677 -2.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.65 ' C5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-O2' 110.2 -1.069 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.963 -1.098 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-O2' 110.704 -0.895 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 103.725 -1.268 . 0.12 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.42 1.443 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.422 1.444 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.756 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C4'-C3'-C2' 104.293 1.593 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-C2' 107.7 0.929 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.26 1.329 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.594 0.853 . 0.01 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.532 -0.954 . 0.587 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 108.046 1.176 . 0.495 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C1'-C2'-O2' 108.589 -0.67 . 0.611 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 108.441 1.458 . 0.21 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.799 1.713 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.756 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-O2' 110.846 -0.846 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . 0.412 " O2'" ' C5 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.228 -1.059 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.417 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.92 1.086 . 0.01 2g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.947 -1.725 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.491 ' N4 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 C3'-C2'-C1' 100.703 -0.886 . 0.476 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.058 1.184 . 0.055 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.582 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.968 1.268 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.461 ' C5 ' ' N7 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 110.263 -1.047 . 0.178 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.461 ' N7 ' ' C5 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.043 -1.619 . 0.061 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.582 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 103.537 0.837 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 103.833 1.133 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.114 -1.54 . 0.102 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C3'-C2'-O2' 110.582 -0.937 . 0.773 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.417 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 100.769 -0.812 . 0.547 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.207 -0.722 . 0.106 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 111.192 -0.727 . 0.18 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . 0.476 ' N4 ' ' N2 ' ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 100.333 -1.296 . 0.568 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 100.783 -0.797 . 0.157 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.566 -0.943 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C4'-C3' 103.205 -1.64 . 0.095 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.636 0.883 . 0.199 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.767 0.318 . . . . 10.0 111.168 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.77 100.15 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.628 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.48 123.87 41.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.326 0.966 . . . . 10.0 110.25 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 68.28 86.9 0.13 Allowed 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 120.001 -0.68 . . . . 10.0 110.775 -177.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 55.3 m -144.85 145.75 31.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 111.956 -2.383 . . . . 10.0 111.411 -178.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.02 -172.49 2.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 113.349 -1.75 . . . . 10.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 119.667 1.121 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p -83.31 -26.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.573 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.348 -1.28 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.435 ' O2 ' ' N2 ' ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 110.919 -0.821 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 108.099 1.213 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C4'-C3' 103.156 -1.674 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-O2' 111.16 -0.738 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 102.878 -1.873 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.438 -1.473 . 0.0 OUTLIER '7D dist 9a' 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . 0.454 ' N3 ' ' N1 ' ' B' 1080 ' ' ' A' . . . . . . . . 0 O4'--C4' 1.444 -0.723 0 C3'-C2'-C1' 102.868 1.52 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 108.476 1.483 . 0.555 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . 0.403 ' O4 ' ' N6 ' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 99.922 -1.753 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 100.643 -0.952 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 108.425 1.447 . 0.218 2h . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.483 ' C8 ' " O5'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C3'-C2'-O2' 111.204 -0.723 . 0.307 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.541 1.436 0 C4'-C3'-C2' 105.081 2.381 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-O2' 110.271 -1.045 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.663 0.902 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.676 0.911 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 108.499 1.5 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 103.816 1.116 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-C2'-O2' 108.073 -0.842 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.865 1.047 . 0.085 '#a' . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.54 ' O2 ' ' C5 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 103.617 0.917 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 OP1-P-O3' 110.038 0.824 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 103.486 -1.439 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.44 ' O2 ' ' N2 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 102.276 -2.303 . 0.708 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 103.577 -1.373 . 0.372 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 107.783 0.988 . 0.192 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.706 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O4'-C1'-C2' 108.243 1.317 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . 0.454 ' N1 ' ' N3 ' ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C4'-C3' 103.135 -1.689 . 0.092 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 111.042 -0.779 . 0.062 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C4'-C3' 103.945 -1.111 . 0.0 OUTLIER beta 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.699 0.928 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C4'-C3'-C2' 103.538 0.838 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.095 0 O4'-C4'-C3' 103.048 -1.752 . 0.455 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 108.324 1.374 . 0.506 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.706 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.233 0 C4'-C3'-C2' 105.255 2.555 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 103.894 1.194 . 0.047 3b . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.521 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.024 -0.785 . 0.081 4g . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.172 -1.476 . 0.136 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.54 ' C5 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.693 0.923 . 0.268 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 111.073 -0.768 . 0.692 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.624 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.88 1.057 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.456 ' C5 ' ' C5 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.806 1.004 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.55 ' C2 ' ' C2 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.95 -1.722 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.624 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-C1' 100.735 -0.85 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.835 1.025 . 0.209 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.521 -1.087 . 0.128 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . 0.416 ' C2 ' ' C5 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-O2' 111.023 -0.785 . 0.102 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.521 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-O2' 111.18 -0.731 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 111.055 -0.774 . 0.635 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 108.078 1.198 . 0.333 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 103.31 -1.565 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.854 1.038 . 0.856 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C4'-C3' 103.419 -1.486 . 0.196 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . 0.435 ' N2 ' ' O2 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-C2' 107.694 0.924 . 0.411 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.878 1.056 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . 0.537 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 3.6 mp . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.717 0.294 . . . . 10.0 110.992 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.6 77.17 1.6 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.915 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.43 125.15 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.588 1.085 . . . . 10.0 110.639 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' SER . . . . . 0.537 ' N ' ' O12' ' C' ' 0' ' ' QUA . . . 71.27 97.82 0.07 Allowed 'General case' 0 CA--C 1.449 -2.907 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.353 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.437 ' N ' ' CA ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.526 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 0.0 OUTLIER -167.73 137.59 2.71 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 112.828 -1.987 . . . . 10.0 111.755 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . 0.4 ' N ' ' C8 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -134.15 -165.21 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.778 -2.01 . . . . 10.0 110.244 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.526 ' SG ' ' O ' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 119.61 1.096 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 30.8 t 74.98 -64.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 10.0 111.638 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.975 -0.802 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.514 " O5'" ' C6 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-O2' 111.258 -0.704 . 0.456 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C4'-C3' 103.694 -1.29 . 0.091 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-O2' 110.671 -0.907 . 0.625 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 108.808 1.72 . 0.44 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 OP1-P-O3' 110.127 0.852 . 0.599 9a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-O2' 110.445 -0.984 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 102.654 -2.033 . 0.457 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 115.415 1.259 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.613 -0.985 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C4'-C3'-C2' 105.304 2.604 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 110.548 -0.949 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.483 0.774 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 110.686 -0.901 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.574 0.839 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-O2' 110.955 -0.809 . 0.01 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.091 0 O4'-C1'-C2' 108.177 1.269 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 100.483 -1.13 . 0.01 1[ . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.872 -0.837 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . 0.417 ' N3 ' " C2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C4'-C3'-C2' 104.591 1.891 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.4 ' OP2' ' C5 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.07 1.37 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.914 -0.823 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.122 1.23 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.41 " O5'" ' C6 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 100.551 -1.054 . 0.319 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.132 -1.092 . 0.078 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.858 1.041 . 0.335 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-C2' 108.677 1.626 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.665 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 103.97 1.27 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 108.365 1.403 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.329 1.378 . 0.017 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.189 -0.936 . 0.01 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-O2' 110.718 -0.89 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.47 0.764 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 103.612 -1.349 . 0.561 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.722 1.659 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.665 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.404 -0.816 0 C4'-C3'-C2' 104.68 1.98 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 110.5 -0.965 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.506 ' N3 ' ' O2 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.65 0.893 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.833 -0.851 . 0.654 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.48 " O5'" ' C6 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-O2' 111.192 -0.727 . 0.532 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.458 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C4'-C3' 104.324 -0.84 . 0.646 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.589 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.179 1.112 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.406 ' C8 ' " O5'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-O2' 110.639 -0.918 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.716 0.94 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.589 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C1'-C2'-O2' 108.396 -0.735 . 0.491 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.894 1.067 . 0.335 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 102.831 -1.906 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.713 0.938 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . 0.506 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 100.604 -0.996 . 0.546 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-C2'-O2' 108.518 -0.694 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-O2' 110.969 -0.804 . 0.335 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . 0.46 ' C6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C3'-C2'-C1' 100.402 -1.22 . 0.689 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.86 1.043 . 0.42 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . 0.4 " C2'" " O4'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 103.953 -1.105 . 0.291 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . 0.4 " O4'" " C2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 108.362 1.402 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 103.859 -1.172 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . 0.422 ' O15' ' CB ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . 0.459 ' N ' ' CD1' ' C' ' 1' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.893 0.378 . . . . 10.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.1 24.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.577 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.502 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -121.59 134.12 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.03 0.832 . . . . 10.0 109.755 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 54.96 82.17 0.1 Allowed 'General case' 0 CA--C 1.449 -2.941 0 C-N-CA 119.813 -0.755 . . . . 10.0 110.063 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.502 ' SG ' ' O ' ' C' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 32.5 m -137.88 145.74 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.059 -2.337 . . . . 10.0 110.266 173.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.9 p -125.99 -168.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 113.236 -1.802 . . . . 10.0 110.218 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 119.579 1.081 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 12.1 t 78.29 -56.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.175 -0.917 . . . . 10.0 111.63 179.758 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.463 -0.978 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.409 " O5'" ' C6 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C3'-C2'-C1' 100.71 -0.878 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 108.042 1.173 . 0.481 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . 0.44 ' N2 ' ' O2 ' ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 108.16 1.257 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-O2' 110.542 -0.951 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.218 -1.63 . 0.048 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 108.503 1.502 . 0.725 9a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 108.192 1.28 . 0.053 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . 0.425 ' N2 ' ' O2 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.063 -1.741 . 0.116 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 100.781 -0.799 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-O2' 111.066 -0.77 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 108.815 1.725 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 102.499 -2.143 . 0.331 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.296 1.355 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C4'-C3' 104.292 -0.863 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 111.101 -0.758 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . 0.421 ' C6 ' ' N7 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.017 -0.787 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . 0.446 ' C4 ' ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 110.544 -0.95 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-C2'-O2' 108.356 -0.748 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.751 0.965 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.661 0.901 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . 0.446 ' N6 ' ' C4 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-O2' 110.852 -0.844 . 0.299 5j . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 104.099 -1.001 . 0.252 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 100.562 -1.042 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 104.045 -1.039 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-O2' 110.38 -1.007 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-C2' 107.719 0.942 . 0.294 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.729 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 OP1-P-O3' 110.193 0.873 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.22 1.3 . 0.505 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.977 1.127 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . 0.478 ' N3 ' ' N1 ' ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.765 -0.874 . 0.096 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 110.792 -0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.492 0.78 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 107.816 1.012 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . 0.493 " O2'" ' C2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 108.178 1.27 . 0.258 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . 0.57 ' C6 ' ' C2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 108.458 1.47 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.729 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 N19-C1'-C2' 114.952 0.97 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.049 1.178 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-C1' 100.609 -0.99 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.794 1.094 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.483 ' C4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 108.633 1.595 . 0.246 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.483 ' C6 ' ' C4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.01 1.15 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.612 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.203 -0.926 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.449 ' N6 ' ' O ' ' C' ' 6' ' ' BB9 . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-O2' 110.923 -0.82 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.442 ' N6 ' ' C6 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 103.65 -1.321 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.612 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 100.762 -0.82 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . 0.53 ' C8 ' ' N7 ' ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.313 1.366 . 0.088 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . 0.53 ' N7 ' ' C8 ' ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C4'-C3' 102.888 -1.866 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C4'-C3' 104.329 -0.836 . 0.01 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C4'-C3' 103.966 -1.096 . 0.475 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . 0.422 " O5'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-C1' 100.555 -1.05 . 0.452 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . 0.57 ' C2 ' ' C6 ' ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 100.644 -0.951 . 0.696 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.659 -0.935 . 0.073 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . 0.44 ' O2 ' ' N2 ' ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.921 -0.82 . 0.227 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C4'-C3' 103.452 -1.463 . 0.743 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 111.368 -0.666 . 0.208 &a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 108.219 1.3 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.101 0.477 . . . . 10.0 110.808 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.56 94.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.201 179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -160.91 105.83 1.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.252 0.933 . . . . 10.0 109.949 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.17 92.43 0.05 Allowed 'General case' 0 CA--C 1.451 -2.853 0 C-N-CA 120.344 -0.542 . . . . 10.0 110.553 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.537 ' SG ' ' O ' ' C' ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 95.9 m -155.58 154.38 31.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 112.719 -2.037 . . . . 10.0 111.449 175.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 -177.0 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 111.634 -2.53 . . . . 10.0 108.794 176.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.499 ' CB ' ' N ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 119.396 0.998 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.439 ' N ' ' CD ' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . 0.401 ' NZ ' ' OD2' ' A' ' 115' ' ' ASP . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.409 ' N ' ' CD ' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.409 ' CD ' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.401 ' OD2' ' NZ ' ' A' ' 112' ' ' LYS . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t 57.2 38.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.571 179.309 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-O2' 110.874 -0.837 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . 0.4 " O5'" ' C6 ' ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.022 -1.056 . 0.231 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . 0.42 ' N2 ' ' O2 ' ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C4'-C3' 103.554 -1.39 . 0.944 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 C3'-C2'-O2' 110.867 -0.839 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-O2' 110.88 -0.835 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.045 1.175 . 0.234 3a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.971 -0.803 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . 0.433 ' N2 ' ' O2 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C4' 1.442 -0.945 0 O4'-C4'-C3' 103.156 -1.674 . 0.308 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . 0.492 ' O4 ' ' N6 ' ' B' 1088 ' ' ' A' . . . . . . . . 0 C3'--C2' 1.535 0.943 0 C4'-C3'-C2' 105.385 2.685 OUTLIER-EPSILON 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . 0.453 " O5'" " C1'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C4'-C3' 103.03 -1.764 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.836 1.485 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.516 ' N2 ' ' O2 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.843 -0.73 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.441 -1.041 0 O4'-C4'-C3' 102.523 -2.126 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 107.797 0.998 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-O2' 110.317 -1.029 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.514 -0.961 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-C2'-O2' 108.453 -0.716 . 0.058 7r . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 100.73 -0.856 . 0.058 2[ . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.289 -0.77 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . 0.459 ' C6 ' ' C2 ' ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 110.598 -0.932 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.455 " O5'" ' C6 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 107.635 0.882 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.547 -0.949 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . 0.459 ' N3 ' " C2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-O2' 110.692 -0.899 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.516 ' O2 ' ' N2 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.531 0.808 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O4'-C1'-C2' 108.218 1.299 . 0.213 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C4'-C3' 104.0 -1.072 . 0.691 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.057 1.184 OUTLIER-EPSILON 0.125 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.645 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 OP1-P-O3' 110.044 0.826 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 103.372 -1.52 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C4'-C3' 103.936 -1.117 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.609 0.864 . 0.543 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-O2' 110.63 -0.921 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.557 -1.388 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C1'-C2' 108.317 1.37 . 0.467 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C4'-C3' 103.436 -1.474 . 0.45 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . 0.476 ' N1 ' ' O2 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 108.355 1.397 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.645 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.538 1.203 0 C4'-C3'-C2' 105.607 2.907 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . 0.459 ' C2 ' ' C6 ' ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.502 -1.109 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C4'-C3' 103.673 -1.305 . 0.131 4g . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 103.831 -1.192 . 0.158 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.452 ' N4 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.806 -0.771 . 0.198 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.401 ' C5 ' ' C4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-O2' 110.565 -0.943 . 0.729 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.588 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.71 1.444 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-O2' 110.973 -0.802 . 0.283 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.634 -0.962 . 0.013 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.588 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 100.313 -1.319 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 OP1-P-O3' 109.876 0.774 . 0.175 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . 0.46 ' N7 ' ' C5 ' ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 103.299 -1.572 . 0.257 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . 0.46 ' C5 ' ' N7 ' ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 104.077 -1.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.238 -1.403 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . 0.476 ' O2 ' ' N1 ' ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.67 0.907 . 0.161 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.991 1.136 . 0.207 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 100.281 -1.354 . 0.222 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . 0.42 ' O2 ' ' N2 ' ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.981 -0.8 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.114 0 O4'-C4'-C3' 103.074 -1.733 . 0.479 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.569 -0.942 . 0.699 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 103.137 -1.688 . 0.226 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 17.9 pt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.812 0.339 . . . . 10.0 110.934 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.65 109.99 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.642 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.86 124.69 46.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.393 0.997 . . . . 10.0 110.729 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 74.07 102.31 0.07 Allowed 'General case' 0 CA--C 1.443 -3.137 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.588 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.445 ' N ' ' CA ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.539 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 29.5 p -157.92 146.73 19.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.91 -2.405 . . . . 10.0 110.68 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . 0.403 ' OG3' ' OG1' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -137.02 -162.47 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.277 -1.783 . . . . 10.0 110.592 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.539 ' SG ' ' O ' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 119.591 1.087 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p -71.92 -33.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.148 -0.929 . . . . 10.0 109.757 179.67 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-O2' 110.881 -0.834 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 107.961 1.115 . 0.104 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 103.011 -1.778 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.211 1.294 . 0.743 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 103.772 -1.234 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . 0.451 ' N1 ' ' N3 ' ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 108.37 1.407 . 0.028 9a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . 0.46 ' N3 ' ' N1 ' ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 108.07 1.193 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-O2' 110.533 -0.954 . 0.29 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 100.645 -0.95 . 0.47 5z . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 OP1-P-O3' 110.601 1.0 . 0.083 6p . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . 0.525 " O5'" ' C5 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.284 0 C4'-C3'-C2' 105.521 2.821 OUTLIER-DELTA 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . 0.532 ' N2 ' ' O2 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C4'-C3'-C2' 103.963 1.263 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . 0.525 ' C5 ' " O5'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O4'--C1' 1.4 -1.127 0 C4'-C3'-C2' 104.528 1.828 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . 0.503 " O5'" ' C6 ' ' B' 1065 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.17 1.47 . 0.0 OUTLIER '7D dist 2a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 108.198 1.284 . 0.137 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.44 -1.066 0 C3'-C2'-C1' 103.415 2.128 . 0.111 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.784 1.084 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . 0.462 " O2'" ' N3 ' ' B' 1065 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -1.023 0 C4'-C3'-C2' 104.454 1.754 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-C2'-O2' 108.114 -0.829 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 C4'-C3'-C2' 103.872 1.172 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.406 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.668 0.906 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 110.412 -0.996 . 0.475 5j . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C1'-C2'-O2' 108.09 -0.837 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.532 ' O2 ' ' N2 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.212 -0.92 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-C1' 100.571 -1.032 . 0.347 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.788 -0.866 . 0.256 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.98 1.129 . 0.01 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.716 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.471 -0.735 . 0.118 5n . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . 0.46 ' N1 ' ' N3 ' ' B' 1058 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.444 -0.771 0 O4'-C4'-C3' 103.446 -1.467 . 0.089 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . 0.451 ' N3 ' ' N1 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O4'--C4' 1.441 -1.012 0 C3'-C2'-C1' 103.012 1.68 . 0.031 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 108.007 1.148 . 0.085 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.628 0.877 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.586 -0.936 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.778 -1.23 . 0.01 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . 0.508 ' N3 ' " C3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 110.92 -0.821 . 0.141 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-C2' 108.256 1.326 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.716 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 103.912 1.212 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-O2' 110.567 -0.943 . 0.266 0b . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . 0.491 " C2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-O2' 110.75 -0.879 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . 0.491 " O4'" " C2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 100.245 -1.394 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.47 ' N4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.47 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 111.06 -0.772 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.554 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 N19-C1'-C2' 115.831 1.519 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . 0.454 ' C8 ' " O2'" ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 104.078 1.378 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . 0.435 ' N6 ' ' N6 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.891 -1.788 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.554 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-O2' 110.959 -0.807 . 0.311 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . 0.432 ' N6 ' ' N3 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.717 1.655 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C4'-C3' 103.651 -1.321 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C4'-C3' 103.901 -1.142 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C4'-C3' 104.025 -1.054 . 0.026 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . 0.432 " O5'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 100.411 -1.21 . 0.012 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 103.6 -1.357 . 0.704 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 100.517 -1.092 . 0.628 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-O2' 110.993 -0.796 . 0.52 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.363 -1.263 . 0.028 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 102.825 -1.911 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.701 -1.285 . 0.378 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . 0.574 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.701 0.286 . . . . 10.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' C' ' 3' ' ' DHA . . . -131.63 -86.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.096 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . 0.482 ' O ' ' O ' ' C' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.15 126.92 38.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.849 0.749 . . . . 10.0 110.49 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' SER . . . . . 0.574 ' N ' ' O12' ' C' ' 0' ' ' QUA . . . 73.45 96.81 0.07 Allowed 'General case' 0 CA--C 1.446 -3.029 0 C-N-CA 120.569 -0.453 . . . . 10.0 111.186 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.438 ' N ' ' CA ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.503 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 43.9 m -164.44 153.16 12.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.72 -2.036 . . . . 10.0 112.081 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . 0.417 ' N ' ' CG2' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 39.7 p -129.59 -163.37 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.512 -1.676 . . . . 10.0 110.493 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.503 ' SG ' ' O ' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 119.689 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m 41.76 54.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.403 -0.808 . . . . 10.0 109.865 179.467 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 100.733 -0.852 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C4'-C3' 103.24 -1.614 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.682 0.915 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.41 1.436 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.793 -0.865 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C4'-C3' 103.287 -1.58 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1057 ' ' ' A' . . . . . 0.461 ' N1 ' ' N3 ' ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 108.094 1.21 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1058 ' ' ' U' . . . . . 0.424 ' N3 ' ' N1 ' ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 108.137 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.851 2.151 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.852 -1.831 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 104.45 1.75 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-O2' 110.439 -0.986 . 0.0 OUTLIER '7D dist 2h' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.019 1.319 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 102.535 -2.118 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 108.261 1.329 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.852 1.037 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.861 1.044 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-O2' 110.86 -0.841 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.404 -0.852 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.128 1.235 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-O2' 110.885 -0.833 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1072 ' ' ' C' . . . . . 0.408 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.928 1.091 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.082 -1.013 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1074 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.756 -0.827 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1075 ' ' ' C' . . . . . 0.456 ' N4 ' ' C6 ' ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C3'-C2'-C1' 100.135 -1.516 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1076 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 104.239 -0.901 . 0.143 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1077 ' ' ' A' . . . . . 0.457 ' C8 ' ' C5 ' ' B' 1078 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.453 -1.462 . 0.712 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1078 ' ' ' U' . . . . . 0.457 ' C5 ' ' C8 ' ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-O2' 110.672 -0.906 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1079 ' ' ' C' . . . . . 0.739 ' C5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.589 0.849 . 0.0 OUTLIER '7D dist 5n wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1080 ' ' ' A' . . . . . 0.424 ' N1 ' ' N3 ' ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.118 -1.702 . 0.871 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1081 ' ' ' U' . . . . . 0.461 ' N3 ' ' N1 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 C3'-C2'-O2' 110.52 -0.959 . 0.476 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.904 -1.14 . 0.366 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 108.068 1.192 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 108.063 1.188 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.86 1.043 . 0.559 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1086 ' ' ' A' . . . . . 0.403 ' N3 ' " C3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.007 -1.066 . 0.09 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C3'-C2'-O2' 110.597 -0.932 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1088 ' ' ' A' . . . . . 0.739 " O5'" ' C5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C4'-C3'-C2' 104.462 1.762 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.779 0.985 . 0.092 0b . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.635 0.882 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 100.284 -1.352 . 0.06 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1092 ' ' ' C' . . . . . 0.413 ' N4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 100.762 -0.82 . 0.042 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1093 ' ' ' G' . . . . . 0.413 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1094 ' ' ' U' . . . . . 0.446 ' O2 ' ' C5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 102.902 -1.856 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 108.077 1.198 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1097 ' ' ' C' . . . . . 0.446 ' C5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.829 -0.852 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.081 1.201 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 O4'-C4'-C3' 103.781 -1.228 . 0.773 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C4'-C3' 103.737 -1.259 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C4'-C3' 103.628 -1.337 . 0.447 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.562 -1.042 . 0.371 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1103 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.985 -1.082 . 0.725 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 99.909 -1.768 . 0.013 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1105 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 100.591 -1.01 . 0.407 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1106 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C4'-C3' 103.187 -1.652 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B 1107 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.158 -1.492 . 0.218 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.637 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 0' ' ' QUA . . . . . 0.466 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.86 0.362 . . . . 10.0 110.621 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.72 102.18 6.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.714 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.65 121.37 34.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.152 0.887 . . . . 10.0 110.304 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' SER . . . . . 0.466 ' N ' ' O12' ' C' ' 0' ' ' QUA . . . 74.63 99.49 0.07 Allowed 'General case' 0 CA--C 1.448 -2.952 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.259 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' BB9 . . . . . 0.419 ' CB ' ' O15' ' C' ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' THR . . . . . 0.458 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 0.1 OUTLIER -170.79 140.2 1.61 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 112.959 -1.928 . . . . 10.0 111.524 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -125.56 -166.79 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.157 -2.292 . . . . 10.0 109.897 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' BB9 . . . . . 0.458 ' SG ' ' O ' ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 119.557 1.071 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG3' ' A' ' 17' ' ' LYS . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.643 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' CD ' ' H ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' H ' HG13 ' A' ' 35' ' ' ILE . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 36' ' ' MET . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.664 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD11 HG21 ' A' ' 46' ' ' THR . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.435 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.435 ' HD2' HG22 ' A' ' 72' ' ' THR . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 129' ' ' GLU . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.577 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 113' ' ' MET . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 116' ' ' LEU . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.442 ' HA ' ' HG2' ' A' ' 126' ' ' LYS . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 123' ' ' ALA . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 124' ' ' ALA . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 105' ' ' ILE . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' THR . 16.9 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.733 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.674 HD11 HG21 ' A' ' 46' ' ' THR . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 137' ' ' ILE . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.447 ' N ' HG12 ' A' ' 96' ' ' ILE . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.662 ' O ' HG13 ' A' ' 105' ' ' ILE . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 103' ' ' LYS . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 102' ' ' ARG . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HZ3' ' HB3' ' A' ' 112' ' ' LYS . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.587 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 113' ' ' MET . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 85' ' ' ILE . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 101' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 53' ' ' ILE . 46.7 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.65 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.65 ' CD ' ' H ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' HB3' HG11 ' A' ' 60' ' ' VAL . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.626 HG22 ' HG2' ' A' ' 12' ' ' GLN . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 31' ' ' HIS . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' THR . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 108' ' ' ILE . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 86' ' ' GLU . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 97' ' ' VAL . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' GLU . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 89' ' ' SER . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 101' ' ' THR . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.442 ' H ' HG22 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 108' ' ' ILE . 65.9 tp60 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.526 HG13 HD23 ' A' ' 78' ' ' LEU . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.516 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 113' ' ' MET . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.454 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.579 HG13 ' N ' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.579 ' N ' HG13 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 135' ' ' MET . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 131' ' ' THR . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.665 HG13 ' H ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.665 ' H ' HG13 ' A' ' 139' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HA ' HD13 ' A' ' 53' ' ' ILE . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.591 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.482 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 HG11 ' A' ' 33' ' ' VAL . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 64.9 m80 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 28' ' ' LEU . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 36' ' ' MET . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.535 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 41' ' ' ARG . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 14' ' ' PRO . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' THR . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.634 ' HB3' ' SD ' ' A' ' 135' ' ' MET . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' SER . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.43 ' OG ' ' HA3' ' A' ' 136' ' ' GLY . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 104' ' ' GLN . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.467 ' HE3' ' OE1' ' A' ' 106' ' ' GLU . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.475 ' HB3' HG13 ' A' ' 100' ' ' VAL . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HZ3' ' CG ' ' A' ' 115' ' ' ASP . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.42 ' CG ' ' HZ3' ' A' ' 112' ' ' LYS . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 126' ' ' LYS . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 123' ' ' ALA . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 76' ' ' SER . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.43 ' HA3' ' OG ' ' A' ' 89' ' ' SER . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' THR . 19.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' A' ' 17' ' ' LYS . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 17' ' ' LYS . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.553 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.818 HG13 ' H ' ' A' ' 25' ' ' GLY . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.818 ' H ' HG13 ' A' ' 24' ' ' VAL . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' SD ' ' A' ' 36' ' ' MET . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.449 ' SD ' HG13 ' A' ' 35' ' ' ILE . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . 0.482 ' OD1' ' HA2' ' A' ' 16' ' ' GLY . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' HE2' ' OD2' ' A' ' 115' ' ' ASP . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 85' ' ' ILE . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.453 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 104' ' ' GLN . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' A' ' 101' ' ' THR . 9.5 tm0? -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 103' ' ' LYS . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 73' ' ' PRO . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.517 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 113' ' ' MET . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD2' ' HE2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 135' ' ' MET . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 131' ' ' THR . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 97' ' ' VAL . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.607 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 38' ' ' PHE . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 60' ' ' VAL . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.536 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 31' ' ' HIS . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 76' ' ' SER . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 85' ' ' ILE . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.64 HG12 ' H ' ' A' ' 86' ' ' GLU . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.64 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' OE1' ' HG3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' THR . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LYS . . . . . 0.515 ' HA ' ' SD ' ' A' ' 113' ' ' MET . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 115' ' ' ASP . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.42 ' HB3' ' HG2' ' A' ' 112' ' ' LYS . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 133' ' ' LYS . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 30.8 t . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' OE1' ' HB3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.684 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.461 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' ' 60' ' ' VAL . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 35' ' ' ILE . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.411 ' HB ' HG22 ' A' ' 67' ' ' THR . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 31' ' ' HIS . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 59' ' ' THR . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 75' ' ' ALA . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 138' ' ' GLU . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.479 ' HA ' HD12 ' A' ' 108' ' ' ILE . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 105' ' ' ILE . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 113' ' ' MET . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' ILE . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 126' ' ' LYS . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 116' ' ' LEU . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA2' ' HE2' ' A' ' 133' ' ' LYS . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' THR . . . . . 0.46 ' HB ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.423 ' HE2' ' HA2' ' A' ' 130' ' ' GLY . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' VAL . . . . . 0.54 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 12.1 t . . . . . 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' A' ' 60' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.598 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' ' H ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 21' ' ' ALA . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.46 ' CG ' ' HB2' ' A' ' 20' ' ' PRO . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG13 HD13 ' A' ' 28' ' ' LEU . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 HG13 ' A' ' 24' ' ' VAL . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.409 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HG3' ' H ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.581 ' HD2' HG22 ' A' ' 72' ' ' THR . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 79' ' ' LEU . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 108' ' ' ILE . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 86' ' ' GLU . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' GLU . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HB ' ' OE2' ' A' ' 138' ' ' GLU . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.523 HD13 HD12 ' A' ' 79' ' ' LEU . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 112' ' ' LYS . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 127' ' ' ILE . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 124' ' ' ALA . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' LYS . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 3.8 pt20 -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.513 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.513 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 HG11 ' A' ' 60' ' ' VAL . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HB2' ' A' ' 37' ' ' GLU . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 33' ' ' VAL . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 71' ' ' LYS . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 70' ' ' ILE . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD21 ' A' ' 78' ' ' LEU . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 73' ' ' PRO . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' HG12 ' A' ' 85' ' ' ILE . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.422 ' HB ' ' H ' ' A' ' 86' ' ' GLU . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HB ' ' A' ' 85' ' ' ILE . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.502 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 94' ' ' ARG . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB3' ' CB ' ' A' ' 91' ' ' GLU . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 96' ' ' ILE . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 95' ' ' LYS . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 102' ' ' ARG . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 129' ' ' GLU . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 116' ' ' LEU . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 124' ' ' ALA . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 126' ' ' LYS . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.475 ' H ' HG12 ' A' ' 97' ' ' VAL . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' ' HG3' ' A' ' 74' ' ' PRO . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.676 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 19' ' ' THR . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' A' ' 22' ' ' PRO . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' H ' ' A' ' 25' ' ' GLY . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' H ' ' HB ' ' A' ' 24' ' ' VAL . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HB3' HG11 ' A' ' 60' ' ' VAL . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 28' ' ' LEU . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.435 ' OG1' HD21 ' A' ' 54' ' ' LEU . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' A' ' 74' ' ' PRO . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD21 ' OG1' ' A' ' 46' ' ' THR . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 31' ' ' HIS . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' OG1' ' A' ' 72' ' ' THR . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.466 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 132' ' ' ALA . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 85' ' ' ILE . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 98' ' ' GLY . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 94' ' ' ARG . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 92' ' ' PRO . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 138' ' ' GLU . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 83' ' ' ALA . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' A' ' 104' ' ' GLN . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 101' ' ' THR . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 105' ' ' ILE . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 104' ' ' GLN . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.487 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 113' ' ' MET . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 116' ' ' LEU . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 127' ' ' ILE . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 123' ' ' ALA . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 125' ' ' MET . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HE3' ' OP1' ' B' 1058 ' ' ' U' . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG3' ' A' ' 17' ' ' LYS . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.643 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' CD ' ' H ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' H ' HG13 ' A' ' 35' ' ' ILE . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 36' ' ' MET . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.664 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD11 HG21 ' A' ' 46' ' ' THR . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.435 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.435 ' HD2' HG22 ' A' ' 72' ' ' THR . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' HA ' " H1'" ' B' 1076 ' ' ' C' . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 129' ' ' GLU . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.545 ' HB3' ' HZ3' ' A' ' 112' ' ' LYS . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.577 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 113' ' ' MET . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 116' ' ' LEU . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.442 ' HA ' ' HG2' ' A' ' 126' ' ' LYS . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 123' ' ' ALA . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 124' ' ' ALA . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 105' ' ' ILE . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' THR . 16.9 m -116.07 135.07 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.651 -0.69 . . . . 10.0 109.995 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1051 ' ' ' G' . . . . . 0.477 ' H8 ' " O5'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 100.306 -1.327 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.84 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C1'-C2'-O2' 108.57 -0.677 . 0.234 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1053 ' ' ' U' . . . . . 0.48 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C4'-C3' 104.259 -0.886 . 0.201 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.276 -1.589 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.009 1.149 . 0.319 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.677 " H2'" " O4'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-O2' 110.591 -0.934 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.677 " O4'" " H2'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-O2' 110.883 -0.833 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1059 ' ' ' G' . . . . . 0.484 " H5'" " H2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 103.688 0.988 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.621 " O2'" H5'' ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 116.152 1.72 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.621 H5'' " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-O2' 110.474 -0.975 . 0.01 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 108.379 1.414 . 0.129 2h . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 108.71 1.65 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.178 0.978 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.958 1.113 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.926 1.226 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.419 " C2'" " O5'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 108.112 1.223 . 0.03 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1068 ' ' ' G' . . . . . 0.475 ' N2 ' ' H62' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-C2' 108.153 1.252 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.535 " H4'" " O5'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.176 1.11 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1070 ' ' ' A' . . . . . 0.535 " O5'" " H4'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.992 1.292 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.422 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.907 1.076 . 0.01 0a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.44 ' H6 ' " O5'" ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.885 1.061 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.612 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.751 0.965 . 0.507 5j . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.612 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.947 1.105 . 0.635 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.483 " H2'" ' C6 ' ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 111.026 -0.784 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.956 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-O2' 110.939 -0.814 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.956 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-C2' 108.214 1.296 . 0.122 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.483 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.605 0.861 . 0.313 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 0.992 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 105.244 2.544 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B 1080 ' ' ' A' . . . . . 0.571 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.772 0.98 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.571 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.833 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 108.135 1.239 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.833 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-O2' 111.034 -0.781 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.955 1.111 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1085 ' ' ' A' . . . . . 0.438 " H1'" " O2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 108.237 1.312 . 0.077 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.746 0.962 . 0.012 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1087 ' ' ' G' . . . . . 0.412 " O2'" " H5'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 108.709 1.649 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 0.992 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C4'--C3' 1.533 0.816 0 C4'-C3'-C2' 103.959 1.259 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.412 " H5'" " O2'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 104.426 1.726 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.632 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.787 0.991 . 0.0 OUTLIER '7D dist 4g' 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.632 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C4'-C3' 103.806 -1.21 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.666 " H2'" " O4'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-O2' 111.091 -0.762 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.666 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 110.852 -0.844 . 0.712 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.748 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 108.234 1.31 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.47 ' C6 ' ' O ' ' C' ' 6' ' ' BB9 . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-O2' 110.916 -0.822 . 0.189 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.748 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 100.491 -1.121 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.622 1.587 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.791 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 102.986 -1.795 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.791 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 102.979 -1.801 . 0.054 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.504 " H2'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C4'-C3' 104.287 -0.866 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.511 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.115 -0.753 . 0.452 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.511 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 C3'-C2'-O2' 111.079 -0.766 . 0.384 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.667 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C3'-C2'-C1' 100.72 -0.867 . 0.389 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.553 " O4'" " H2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.602 0.859 . 0.048 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.613 " O2'" " H5'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 O4'-C4'-C3' 103.698 -1.287 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.739 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 102.67 -2.021 . 0.811 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.739 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C4'-C3' 102.511 -2.135 . 0.682 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.458 ' H13' ' H62' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.703 0.287 . . . . 10.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.65 79.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.479 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -129.67 114.21 15.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 119.105 0.866 . . . . 10.0 109.907 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.737 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 70.93 100.35 0.06 Allowed 'General case' 0 CA--C 1.446 -3.04 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.792 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.592 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -162.49 164.59 26.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.161 -2.29 . . . . 10.0 110.269 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.552 ' O ' ' C ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.552 ' C ' ' O ' ' C' ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -137.41 -174.14 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.767 -2.015 . . . . 10.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.737 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 119.484 1.038 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.733 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.674 HD11 HG21 ' A' ' 46' ' ' THR . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' P ' ' B' 1060 ' ' ' U' . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 137' ' ' ILE . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HA ' ' OP1' ' B' 1064 ' ' ' C' . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG2' " H4'" ' B' 1076 ' ' ' C' . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HE2' " H5'" ' B' 1077 ' ' ' A' . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.447 ' N ' HG12 ' A' ' 96' ' ' ILE . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.662 ' O ' HG13 ' A' ' 105' ' ' ILE . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 103' ' ' LYS . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 102' ' ' ARG . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' HB3' ' HZ3' ' A' ' 112' ' ' LYS . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.587 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 113' ' ' MET . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 85' ' ' ILE . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -143.57 -171.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.523 -0.751 . . . . 10.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-O2' 110.771 -0.872 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.587 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C3'-C2'-O2' 111.001 -0.793 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1053 ' ' ' U' . . . . . 0.683 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.688 -0.901 . 0.01 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.526 " O4'" " H2'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.466 1.476 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.537 " H1'" ' H61' ' B' 1084 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 110.61 -0.928 . 0.46 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.965 1.118 . 0.178 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.431 ' H8 ' " O5'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-O2' 110.535 -0.954 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.594 " O2'" " H5'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.813 1.009 . 0.019 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1059 ' ' ' G' . . . . . 0.594 " H5'" " O2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.79 -1.221 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.555 " O2'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 N19-C1'-C2' 116.217 1.76 . 0.0 OUTLIER '7D dist 5q' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.555 " H3'" " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C3'-C2'-C1' 100.377 -1.248 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.611 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 103.55 -1.393 . 0.106 2h . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.611 ' C8 ' " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.932 -0.817 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.502 ' OP1' ' HA ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.397 -1.412 0 C4'-C3'-C2' 105.197 2.497 . 0.036 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1065 ' ' ' U' . . . . . 0.596 " H2'" " O4'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-O2' 110.904 -0.826 . 0.091 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.775 ' O2 ' " H2'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.244 1.317 . 0.016 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.945 1.104 . 0.443 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.356 -1.531 . 0.701 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.775 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -0.971 0 C4'-C3'-C2' 104.698 1.998 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 103.952 1.252 . 0.0 OUTLIER '7D dist 6p' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.826 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.442 -0.955 0 O4'-C4'-C3' 103.064 -1.74 . 0.0 OUTLIER '7D dist 0a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.824 ' H5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-C2' 108.188 1.277 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C4'-C3'-C2' 103.772 1.072 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.527 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 100.556 -1.048 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.519 " H3'" ' C6 ' ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 OP1-P-O3' 109.791 0.747 . 0.07 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.519 ' C6 ' " H3'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.843 1.031 . 0.545 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.66 ' N3 ' " H2'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 108.23 1.307 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.438 H5'' " O5'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C4'-C3' 102.318 -2.273 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 0.97 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.878 1.178 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.82 1.014 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.425 ' H6 ' " O5'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-O2' 110.732 -0.885 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.789 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.863 1.045 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.789 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.239 1.314 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1084 ' ' ' A' . . . . . 0.537 ' H61' " H1'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C4'-C3' 103.625 -1.34 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.576 " H5'" " O2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 103.632 -1.334 . 0.058 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 103.215 1.905 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 0.97 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 104.841 2.141 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.532 " O2'" ' H5 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.096 1.211 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.719 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.745 0.961 . 0.0 OUTLIER '7D dist 2g wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.719 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.166 -0.953 . 0.123 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.668 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 OP1-P-O3' 109.642 0.701 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 107.569 0.835 . 0.523 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.709 " H2'" ' N7 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 110.681 -0.903 . 0.269 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.669 ' C6 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 108.02 1.157 . 0.496 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.709 ' N7 ' " H2'" ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 99.796 -1.893 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.668 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 105.228 -0.837 . 0.012 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.978 " H2'" " O4'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C5'-C4'-O4' 107.807 -0.995 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.978 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 104.229 -0.908 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C4'-C3' 104.058 -1.03 . 0.601 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.52 -1.089 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 100.628 -0.968 . 0.103 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.482 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.792 0.994 . 0.689 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.576 " O2'" " H5'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 100.518 -1.091 . 0.688 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.522 " O4'" " H2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 103.851 -1.178 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.447 " H2'" ' C8 ' ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 103.403 -1.498 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.511 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C4'-C3' 103.373 -1.52 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.511 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.811 1.008 . 0.441 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.455 ' H16' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.707 0.289 . . . . 10.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 162.75 12.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.34 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.49 126.99 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.901 0.773 . . . . 10.0 110.057 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.809 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 71.31 91.99 0.09 Allowed 'General case' 0 CA--C 1.447 -3.006 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.709 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.555 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.746 HG22 ' H ' ' C' ' 9' ' ' DCY . 7.9 m -153.11 149.28 27.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 112.677 -2.056 . . . . 10.0 111.863 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.746 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.637 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -114.8 -171.17 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 113.604 -1.635 . . . . 10.0 110.889 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.809 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 119.726 1.148 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' C6 ' ' B' 1070 ' ' ' A' . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 53' ' ' ILE . 46.7 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.65 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.65 ' CD ' ' H ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' HB3' HG11 ' A' ' 60' ' ' VAL . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.8 m-20 -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.626 HG22 ' HG2' ' A' ' 12' ' ' GLN . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HB3' ' OP1' ' B' 1061 ' ' ' U' . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 31' ' ' HIS . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' THR . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HA ' ' OP2' ' B' 1060 ' ' ' U' . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 108' ' ' ILE . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.496 ' HB3' H5'' ' B' 1064 ' ' ' C' . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 97' ' ' VAL . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.413 ' O ' ' N2 ' ' B' 1063 ' ' ' G' . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HG3' ' H22' ' B' 1062 ' ' ' G' . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD2' " O3'" ' B' 1077 ' ' ' A' . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 89' ' ' SER . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 101' ' ' THR . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.442 ' H ' HG22 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 108' ' ' ILE . 65.9 tp60 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG13 HD23 ' A' ' 78' ' ' LEU . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.516 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 113' ' ' MET . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB1' H5'' ' B' 1081 ' ' ' U' . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.579 HG13 ' N ' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.579 ' N ' HG13 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 135' ' ' MET . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 131' ' ' THR . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.665 HG13 ' H ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.665 ' H ' HG13 ' A' ' 139' ' ' VAL . 7.8 p 144.21 -43.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.377 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1051 ' ' ' G' . . . . . 0.504 ' N3 ' " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.598 -1.359 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1053 ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C4'-C3' 104.32 -0.843 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.41 ' C2 ' ' C8 ' ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.696 -2.003 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.41 ' C8 ' ' C2 ' ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.858 -0.842 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C4'-C3' 102.875 -1.875 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 110.624 -0.923 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C1'-C2'-O2' 108.13 -0.823 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 103.891 1.191 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.406 ' OP2' ' HA ' ' A' ' 74' ' ' PRO . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.702 1.438 . 0.0 OUTLIER '7D dist 5p wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.507 ' OP1' ' HB3' ' A' ' 55' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 N19-C1'-C2' 115.357 1.223 . 0.489 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.475 ' H22' ' HG3' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 108.331 1.379 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.435 ' H8 ' " O5'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-O2' 111.152 -0.741 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.496 H5'' ' HB3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.44 -1.064 0 O4'-C4'-C3' 102.236 -2.331 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 104.231 1.531 . 0.017 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.612 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 103.94 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.415 H5'' " H2'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.606 0.861 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.857 1.041 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.612 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.565 -1.039 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1070 ' ' ' A' . . . . . 0.525 ' C6 ' HD11 ' A' ' 11' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-O2' 111.069 -0.769 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.558 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C4'-C3'-C2' 104.419 1.719 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.438 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-C2'-O2' 108.569 -0.677 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.597 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.957 -0.808 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.597 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-O2' 110.854 -0.843 . 0.029 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.504 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.526 0.804 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.792 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-O2' 110.649 -0.914 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.792 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.714 0.938 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.505 ' H6 ' " O5'" ' B' 1078 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-O2' 110.638 -0.918 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.046 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 OP1-P-O3' 109.748 0.734 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1080 ' ' ' A' . . . . . 0.892 " O4'" " H2'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 103.042 1.713 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.478 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.087 -1.723 . 0.061 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.603 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 107.698 0.927 . 0.407 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.603 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 108.098 1.213 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1084 ' ' ' A' . . . . . 0.458 ' H2 ' " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 108.206 1.29 . 0.06 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-C2' 108.068 1.191 . 0.015 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.507 ' N3 ' H5'' ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-C2' 107.65 0.893 . 0.217 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 108.499 1.499 . 0.086 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.046 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.4 -1.166 0 C4'-C3'-C2' 105.545 2.845 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.165 1.261 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.792 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C3'-C2'-O2' 110.863 -0.84 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.792 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.694 -0.896 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.488 " H2'" " O4'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C4'-C3' 104.261 -0.885 . 0.746 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.488 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.143 1.245 . 0.696 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.859 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 108.569 1.549 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.878 ' C6 ' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.938 1.098 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.673 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 100.426 -1.194 . 0.01 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.859 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 111.004 -0.792 . 0.485 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.64 " H5'" " O2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C4'-C3'-C2' 103.767 1.067 . 0.448 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C4'-C3' 103.545 -1.396 . 0.175 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 104.093 -1.005 . 0.935 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.782 " H2'" " O4'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 100.528 -1.08 . 0.033 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.782 " O4'" " H2'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.71 0.936 . 0.134 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.505 ' H8 ' " O5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-O2' 111.172 -0.734 . 0.063 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 100.673 -0.919 . 0.344 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.582 ' H6 ' " O5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 100.268 -1.368 . 0.587 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.51 " H5'" " O2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 103.085 -1.725 . 0.685 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.595 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 102.208 -2.351 . 0.127 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.595 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C4'-C3' 103.815 -1.204 . 0.247 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.469 ' O15' ' CB ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.445 HD12 ' O ' ' C' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.009 0.433 . . . . 10.0 110.984 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.57 27.15 13.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.228 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -132.78 123.85 26.95 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.458 1.026 . . . . 10.0 111.002 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.04 86.67 0.1 Allowed 'General case' 0 CA--C 1.448 -2.954 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.679 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.825 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.878 HG22 ' C6 ' ' B' 1095 ' ' ' A' . 1.3 p -129.88 166.23 20.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.634 -2.075 . . . . 10.0 111.938 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.669 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 65.7 p -118.23 -176.6 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 112.968 -1.924 . . . . 10.0 109.847 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.825 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 119.63 1.104 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HA ' HD13 ' A' ' 53' ' ' ILE . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.591 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.482 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HB2' ' C2 ' ' B' 1096 ' ' ' A' . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 HG11 ' A' ' 33' ' ' VAL . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' CE1' " O4'" ' B' 1098 ' ' ' A' . 64.9 m80 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 28' ' ' LEU . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 36' ' ' MET . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.535 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 41' ' ' ARG . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 14' ' ' PRO . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' THR . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.581 ' HA ' ' P ' ' B' 1060 ' ' ' U' . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.634 ' HB3' ' SD ' ' A' ' 135' ' ' MET . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' SER . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.43 ' OG ' ' HA3' ' A' ' 136' ' ' GLY . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 104' ' ' GLN . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.467 ' HE3' ' OE1' ' A' ' 106' ' ' GLU . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.475 ' HB3' HG13 ' A' ' 100' ' ' VAL . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 126' ' ' LYS . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 123' ' ' ALA . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 76' ' ' SER . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.43 ' HA3' ' OG ' ' A' ' 89' ' ' SER . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' THR . 19.0 m -120.91 152.41 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.506 -0.759 . . . . 10.0 110.278 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-O2' 110.984 -0.798 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.765 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-O2' 111.194 -0.726 . 0.598 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1053 ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.857 1.041 . 0.551 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.422 " H5'" " O2'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.541 -1.399 . 0.551 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.785 0.99 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1056 ' ' ' G' . . . . . 0.476 ' N2 ' ' N4 ' ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 108.447 1.462 . 0.349 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-O2' 110.743 -0.882 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-O2' 110.928 -0.818 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.631 0.879 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.723 " O2'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 N19-C1'-C2' 115.964 1.602 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.723 " H3'" " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.017 -1.648 . 0.01 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.554 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.106 1.066 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.554 ' C8 ' " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.754 1.054 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.425 " H2'" ' C6 ' ' B' 1065 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.441 -1.037 0 O4'-C4'-C3' 102.169 -2.379 . 0.328 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1065 ' ' ' U' . . . . . 0.425 ' C6 ' " H2'" ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 104.08 1.38 . 0.196 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.418 ' C2 ' H5'' ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.677 0.912 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.655 " H2'" " O4'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1068 ' ' ' G' . . . . . 0.655 " O4'" " H2'" ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-C2' 107.952 1.109 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.66 " O3'" ' H8 ' ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C4'-C3' 104.076 -1.017 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1070 ' ' ' A' . . . . . 0.66 ' H8 ' " O3'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 107.988 1.134 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.97 " O5'" ' H5 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O4'--C4' 1.442 -0.909 0 O4'-C4'-C3' 102.677 -2.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.97 ' H5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.43 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-O2' 110.2 -1.069 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.43 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.963 -1.098 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.43 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-O2' 110.704 -0.895 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.758 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 103.725 -1.268 . 0.12 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.758 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.42 1.443 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.422 1.444 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.043 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C4'-C3'-C2' 104.293 1.593 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-C2' 107.7 0.929 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.443 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.26 1.329 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.605 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.594 0.853 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.605 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.532 -0.954 . 0.587 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 108.046 1.176 . 0.495 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1085 ' ' ' A' . . . . . 0.6 ' N7 ' " H2'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C1'-C2'-O2' 108.589 -0.67 . 0.611 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.55 HO2' ' H2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 108.441 1.458 . 0.21 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.799 1.713 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.043 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-O2' 110.846 -0.846 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.713 " O2'" ' H5 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.228 -1.059 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.759 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.92 1.086 . 0.01 2g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.759 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.947 -1.725 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.452 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 C3'-C2'-C1' 100.703 -0.886 . 0.476 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.48 ' H8 ' " O5'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.058 1.184 . 0.055 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.844 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.968 1.268 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.621 ' C5 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 110.263 -1.047 . 0.178 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.461 ' N7 ' ' C5 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.043 -1.619 . 0.061 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.844 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 103.537 0.837 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.416 " O4'" ' CE1' ' A' ' 31' ' ' HIS . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 103.833 1.133 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.114 -1.54 . 0.102 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C3'-C2'-O2' 110.582 -0.937 . 0.773 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.485 ' H6 ' " O5'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 100.769 -0.812 . 0.547 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.207 -0.722 . 0.106 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.579 ' H8 ' " O5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 111.192 -0.727 . 0.18 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.624 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 100.333 -1.296 . 0.568 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.442 " H2'" ' C8 ' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 100.783 -0.797 . 0.157 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.442 ' C8 ' " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.566 -0.943 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.402 " O5'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C4'-C3' 103.205 -1.64 . 0.095 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.461 ' H6 ' " O5'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.636 0.883 . 0.199 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.452 ' O16' HD13 ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.573 ' N ' HD13 ' C' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.767 0.318 . . . . 10.0 111.168 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.77 100.15 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.628 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.48 123.87 41.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.326 0.966 . . . . 10.0 110.25 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.752 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 68.28 86.9 0.13 Allowed 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 120.001 -0.68 . . . . 10.0 110.775 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.514 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.885 HG22 ' H ' ' C' ' 9' ' ' DCY . 55.3 m -144.85 145.75 31.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 111.956 -2.383 . . . . 10.0 111.411 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.885 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.671 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.02 -172.49 2.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 113.349 -1.75 . . . . 10.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.752 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 119.667 1.121 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' A' ' 17' ' ' LYS . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 17' ' ' LYS . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.553 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.818 HG13 ' H ' ' A' ' 25' ' ' GLY . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.818 ' H ' HG13 ' A' ' 24' ' ' VAL . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' H141 ' C' ' 0' ' ' QUA . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' SD ' ' A' ' 36' ' ' MET . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.449 ' SD ' HG13 ' A' ' 35' ' ' ILE . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . 0.482 ' OD1' ' HA2' ' A' ' 16' ' ' GLY . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' HE2' ' OD2' ' A' ' 115' ' ' ASP . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 85' ' ' ILE . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.453 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.479 ' HB2' H5'' ' B' 1077 ' ' ' A' . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 104' ' ' GLN . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' A' ' 101' ' ' THR . 9.5 tm0? -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 103' ' ' LYS . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 73' ' ' PRO . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.517 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 113' ' ' MET . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD2' ' HE2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.473 HG13 " H1'" ' B' 1080 ' ' ' A' . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 135' ' ' MET . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 131' ' ' THR . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 97' ' ' VAL . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p -83.31 -26.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.573 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.348 -1.28 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.405 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 110.919 -0.821 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 108.099 1.213 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.542 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C4'-C3' 103.156 -1.674 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.542 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-O2' 111.16 -0.738 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1056 ' ' ' G' . . . . . 0.462 H5'' " O4'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 102.878 -1.873 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.462 " O4'" H5'' ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.438 -1.473 . 0.0 OUTLIER '7D dist 9a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.444 -0.723 0 C3'-C2'-C1' 102.868 1.52 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 108.476 1.483 . 0.555 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.535 " O2'" H5'' ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 99.922 -1.753 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.535 H5'' " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 100.643 -0.952 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.458 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 108.425 1.447 . 0.218 2h . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.727 ' H8 ' " O5'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C3'-C2'-O2' 111.204 -0.723 . 0.307 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.507 " O4'" " H2'" ' B' 1063 ' ' ' G' . . . . . . . . 0 C3'--C2' 1.541 1.436 0 C4'-C3'-C2' 105.081 2.381 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-O2' 110.271 -1.045 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.572 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.663 0.902 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.676 0.911 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 108.499 1.5 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.572 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 103.816 1.116 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-C2'-O2' 108.073 -0.842 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.611 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.865 1.047 . 0.085 '#a' . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.692 ' O2 ' ' H5 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 103.617 0.917 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.435 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 OP1-P-O3' 110.038 0.824 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.435 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 103.486 -1.439 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.421 ' C6 ' " H3'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.742 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 102.276 -2.303 . 0.708 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.742 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 103.577 -1.373 . 0.372 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.73 H5'' " O5'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 107.783 0.988 . 0.192 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.021 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O4'-C1'-C2' 108.243 1.317 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1080 ' ' ' A' . . . . . 0.473 " H1'" HG13 ' A' ' 127' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C4'-C3' 103.135 -1.689 . 0.092 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.453 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.654 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 111.042 -0.779 . 0.062 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C4'-C3' 103.945 -1.111 . 0.0 OUTLIER beta 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.699 0.928 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C4'-C3'-C2' 103.538 0.838 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.095 0 O4'-C4'-C3' 103.048 -1.752 . 0.455 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1087 ' ' ' G' . . . . . 0.448 ' N2 ' " H1'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 108.324 1.374 . 0.506 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.021 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.233 0 C4'-C3'-C2' 105.255 2.555 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 103.894 1.194 . 0.047 3b . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.492 ' H6 ' " O5'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.024 -0.785 . 0.081 4g . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.624 " H2'" " O4'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.172 -1.476 . 0.136 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.692 ' H5 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.693 0.923 . 0.268 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 111.073 -0.768 . 0.692 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.897 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.88 1.057 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.556 ' H62' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.806 1.004 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.55 ' C2 ' ' C2 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.95 -1.722 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.897 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-C1' 100.735 -0.85 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.493 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.835 1.025 . 0.209 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.521 -1.087 . 0.128 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.416 ' C2 ' ' C5 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-O2' 111.023 -0.785 . 0.102 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.48 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-O2' 111.18 -0.731 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.679 " H2'" " O4'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 111.055 -0.774 . 0.635 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.679 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 108.078 1.198 . 0.333 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 103.31 -1.565 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.53 " H2'" ' C8 ' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.854 1.038 . 0.856 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.53 ' C8 ' " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C4'-C3' 103.419 -1.486 . 0.196 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.608 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-C2' 107.694 0.924 . 0.411 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.608 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.878 1.056 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.537 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.464 ' N ' HD12 ' C' ' 1' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.717 0.294 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.6 77.17 1.6 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.915 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.43 125.15 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.588 1.085 . . . . 10.0 110.639 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.665 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 71.27 97.82 0.07 Allowed 'General case' 0 CA--C 1.449 -2.907 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.353 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.689 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.556 HG22 ' H62' ' B' 1095 ' ' ' A' . 0.0 OUTLIER -167.73 137.59 2.71 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 112.828 -1.987 . . . . 10.0 111.755 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.4 ' N ' ' C8 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.507 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -134.15 -165.21 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.778 -2.01 . . . . 10.0 110.244 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.689 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . 0.432 ' O ' ' HB1' ' C' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' DHA . . . . . 0.432 ' HB1' ' O ' ' C' ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 119.61 1.096 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.607 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 38' ' ' PHE . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' C' ' 8' ' ' DBU . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HA ' ' N1 ' ' B' 1096 ' ' ' A' . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 60' ' ' VAL . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.536 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 31' ' ' HIS . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' NZ ' " H4'" ' B' 1063 ' ' ' G' . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 85' ' ' ILE . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.64 HG12 ' H ' ' A' ' 86' ' ' GLU . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.64 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.554 ' HE3' " O3'" ' B' 1064 ' ' ' C' . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' OE1' ' HG3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' THR . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LYS . . . . . 0.515 ' HA ' ' SD ' ' A' ' 113' ' ' MET . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 115' ' ' ASP . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.42 ' HB3' ' HG2' ' A' ' 112' ' ' LYS . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 133' ' ' LYS . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 30.8 t 74.98 -64.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 10.0 111.638 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.975 -0.802 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.678 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-O2' 111.258 -0.704 . 0.456 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C4'-C3' 103.694 -1.29 . 0.091 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-O2' 110.671 -0.907 . 0.625 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1056 ' ' ' G' . . . . . 0.589 H5'' " O4'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 108.808 1.72 . 0.44 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.589 " O4'" H5'' ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 OP1-P-O3' 110.127 0.852 . 0.599 9a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.56 " O2'" " H5'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-O2' 110.445 -0.984 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1059 ' ' ' G' . . . . . 0.56 " H5'" " O2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 102.654 -2.033 . 0.457 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 115.415 1.259 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.613 -0.985 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.674 " H2'" " O4'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C4'-C3'-C2' 105.304 2.604 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.674 " O4'" " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 110.548 -0.949 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.554 " O3'" ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.483 0.774 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 110.686 -0.901 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.644 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.574 0.839 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-O2' 110.955 -0.809 . 0.01 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1068 ' ' ' G' . . . . . 0.477 ' H22' " H2'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.091 0 O4'-C1'-C2' 108.177 1.269 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.644 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 100.483 -1.13 . 0.01 1[ . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1070 ' ' ' A' . . . . . 0.479 " H3'" ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.872 -0.837 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.637 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C4'-C3'-C2' 104.591 1.891 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.454 ' C4 ' " H5'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.07 1.37 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.479 ' N6 ' " H3'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.914 -0.823 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.122 1.23 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.704 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 100.551 -1.054 . 0.319 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.693 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.132 -1.092 . 0.078 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.693 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.858 1.041 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.482 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-C2' 108.677 1.626 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 0.98 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 103.97 1.27 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 108.365 1.403 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.494 " H2'" ' C6 ' ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.329 1.378 . 0.017 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.528 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.189 -0.936 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.501 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-O2' 110.718 -0.89 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1084 ' ' ' A' . . . . . 0.581 ' N3 ' " H5'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.47 0.764 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 103.612 -1.349 . 0.561 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.722 1.659 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 0.98 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.404 -0.816 0 C4'-C3'-C2' 104.68 1.98 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 110.5 -0.965 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.435 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.65 0.893 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.435 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.833 -0.851 . 0.654 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.776 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-O2' 111.192 -0.727 . 0.532 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.718 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C4'-C3' 104.324 -0.84 . 0.646 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.925 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.179 1.112 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.676 ' H8 ' " O5'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-O2' 110.639 -0.918 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.857 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.716 0.94 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.925 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C1'-C2'-O2' 108.396 -0.735 . 0.491 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.621 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.894 1.067 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.892 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 102.831 -1.906 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.892 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.713 0.938 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.582 ' H6 ' " O5'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 100.604 -0.996 . 0.546 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.614 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-C2'-O2' 108.518 -0.694 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.614 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-O2' 110.969 -0.804 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.603 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C3'-C2'-C1' 100.402 -1.22 . 0.689 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.47 ' N4 ' ' H62' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.86 1.043 . 0.42 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.71 " H2'" " O4'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 103.953 -1.105 . 0.291 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.71 " O4'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 108.362 1.402 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 103.859 -1.172 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.437 ' C7 ' HD12 ' C' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.665 ' N ' HD12 ' C' ' 1' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.893 0.378 . . . . 10.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.1 24.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.577 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.502 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -121.59 134.12 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.03 0.832 . . . . 10.0 109.755 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.662 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 54.96 82.17 0.1 Allowed 'General case' 0 CA--C 1.449 -2.941 0 C-N-CA 119.813 -0.755 . . . . 10.0 110.063 -175.102 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.523 ' C ' ' HB3' ' A' ' 26' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.774 HG22 ' H ' ' C' ' 9' ' ' DCY . 32.5 m -137.88 145.74 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.059 -2.337 . . . . 10.0 110.266 173.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' DBU . . . . . 0.652 ' HG3' ' HG2' ' A' ' 26' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.774 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.415 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.9 p -125.99 -168.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 113.236 -1.802 . . . . 10.0 110.218 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.662 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 119.579 1.081 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' OE1' ' HB3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.684 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.652 ' HA ' ' HG1' ' C' ' 8' ' ' DBU . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' C' ' 7' ' ' THR . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' ' 60' ' ' VAL . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 35' ' ' ILE . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.411 ' HB ' HG22 ' A' ' 67' ' ' THR . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 31' ' ' HIS . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 59' ' ' THR . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' HA ' ' OP1' ' B' 1060 ' ' ' U' . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 75' ' ' ALA . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 138' ' ' GLU . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.479 ' HA ' HD12 ' A' ' 108' ' ' ILE . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 105' ' ' ILE . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 113' ' ' MET . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' ILE . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 126' ' ' LYS . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.852 HG23 ' H21' ' B' 1059 ' ' ' G' . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA2' ' HE2' ' A' ' 133' ' ' LYS . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' THR . . . . . 0.46 ' HB ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.423 ' HE2' ' HA2' ' A' ' 130' ' ' GLY . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' VAL . . . . . 0.54 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 12.1 t 78.29 -56.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.175 -0.917 . . . . 10.0 111.63 179.758 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.463 -0.978 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.74 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C3'-C2'-C1' 100.71 -0.878 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1053 ' ' ' U' . . . . . 0.489 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 108.042 1.173 . 0.481 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.737 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 108.16 1.257 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.737 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-O2' 110.542 -0.951 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.218 -1.63 . 0.048 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 108.503 1.502 . 0.725 9a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.776 " H2'" " O4'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 108.192 1.28 . 0.053 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1059 ' ' ' G' . . . . . 0.852 ' H21' HG23 ' A' ' 127' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.063 -1.741 . 0.116 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.441 " H1'" ' OP2' ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 100.781 -0.799 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.416 " H3'" " O3'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-O2' 111.066 -0.77 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.56 " H2'" " O4'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 108.815 1.725 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.56 " O4'" " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 102.499 -2.143 . 0.331 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1065 ' ' ' U' . . . . . 0.522 " H2'" ' C6 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.296 1.355 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.522 ' C6 ' " H2'" ' B' 1065 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C4'-C3' 104.292 -0.863 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 111.101 -0.758 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1068 ' ' ' G' . . . . . 0.421 ' C6 ' ' N7 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.017 -0.787 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.446 ' C4 ' ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 110.544 -0.95 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-C2'-O2' 108.356 -0.748 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.42 ' N3 ' " H2'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.751 0.965 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1072 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.661 0.901 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.446 ' N6 ' ' C4 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-O2' 110.852 -0.844 . 0.299 5j . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.492 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 104.099 -1.001 . 0.252 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.638 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 100.562 -1.042 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.606 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 104.045 -1.039 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.606 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-O2' 110.38 -1.007 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-C2' 107.719 0.942 . 0.294 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.045 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 OP1-P-O3' 110.193 0.873 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1080 ' ' ' A' . . . . . 0.551 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.22 1.3 . 0.505 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.551 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.977 1.127 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.667 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.765 -0.874 . 0.096 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.56 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 110.792 -0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.492 0.78 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1085 ' ' ' A' . . . . . 0.48 " H1'" " O4'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 107.816 1.012 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.616 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 108.178 1.27 . 0.258 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1087 ' ' ' G' . . . . . 0.57 ' C6 ' ' C2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 108.458 1.47 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.045 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 N19-C1'-C2' 114.952 0.97 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.42 " H2'" ' N3 ' ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.049 1.178 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-C1' 100.609 -0.99 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.794 1.094 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.483 ' C4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 108.633 1.595 . 0.246 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.483 ' C6 ' ' C4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.01 1.15 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.796 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.203 -0.926 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.538 ' N9 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-O2' 110.923 -0.82 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.501 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 103.65 -1.321 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.796 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 100.762 -0.82 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.53 ' C8 ' ' N7 ' ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.313 1.366 . 0.088 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.53 ' N7 ' ' C8 ' ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C4'-C3' 102.888 -1.866 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C4'-C3' 104.329 -0.836 . 0.01 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.478 " H2'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C4'-C3' 103.966 -1.096 . 0.475 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.634 ' H6 ' " O5'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-C1' 100.555 -1.05 . 0.452 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.594 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 100.644 -0.951 . 0.696 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.659 -0.935 . 0.073 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.737 " H2'" " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.921 -0.82 . 0.227 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.737 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C4'-C3' 103.452 -1.463 . 0.743 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.809 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 111.368 -0.666 . 0.208 &a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.809 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 108.219 1.3 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.67 HD12 ' N ' ' C' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.101 0.477 . . . . 10.0 110.808 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.67 ' N ' HD12 ' C' ' 1' ' ' ILE . . . -158.56 94.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.201 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -160.91 105.83 1.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.252 0.933 . . . . 10.0 109.949 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.17 92.43 0.05 Allowed 'General case' 0 CA--C 1.451 -2.853 0 C-N-CA 120.344 -0.542 . . . . 10.0 110.553 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.904 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.538 HG23 ' N9 ' ' B' 1095 ' ' ' A' . 95.9 m -155.58 154.38 31.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 112.719 -2.037 . . . . 10.0 111.449 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' DBU . . . . . 0.652 ' HG1' ' HA ' ' A' ' 22' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.491 ' HG1' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 -177.0 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 111.634 -2.53 . . . . 10.0 108.794 176.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.904 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 119.396 0.998 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' A' ' 60' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.598 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' ' H ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 21' ' ' ALA . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' CG ' ' HB2' ' A' ' 20' ' ' PRO . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG13 HD13 ' A' ' 28' ' ' LEU . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 HG13 ' A' ' 24' ' ' VAL . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HG3' ' H ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.581 ' HD2' HG22 ' A' ' 72' ' ' THR . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 79' ' ' LEU . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 108' ' ' ILE . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 86' ' ' GLU . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.683 ' HB3' ' H21' ' B' 1063 ' ' ' G' . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' GLU . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HB ' ' OE2' ' A' ' 138' ' ' GLU . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 60.2 mm-40 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.523 HD13 HD12 ' A' ' 79' ' ' LEU . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 112' ' ' LYS . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 127' ' ' ILE . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 124' ' ' ALA . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' LYS . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t 57.2 38.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.571 179.309 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-O2' 110.874 -0.837 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.694 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.022 -1.056 . 0.231 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.726 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C4'-C3' 103.554 -1.39 . 0.944 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.726 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 C3'-C2'-O2' 110.867 -0.839 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-O2' 110.88 -0.835 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.045 1.175 . 0.234 3a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.615 ' H6 ' " O5'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.971 -0.803 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1059 ' ' ' G' . . . . . 0.43 " H5'" " H2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.442 -0.945 0 O4'-C4'-C3' 103.156 -1.674 . 0.308 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.664 " H1'" " O5'" ' B' 1061 ' ' ' U' . . . . . . . . 0 C3'--C2' 1.535 0.943 0 C4'-C3'-C2' 105.385 2.685 OUTLIER-EPSILON 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.664 " O5'" " H1'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C4'-C3' 103.03 -1.764 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.616 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.836 1.485 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.683 ' H21' ' HB3' ' A' ' 90' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.843 -0.73 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.481 " H5'" " C2'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.441 -1.041 0 O4'-C4'-C3' 102.523 -2.126 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 107.797 0.998 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.476 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-O2' 110.317 -1.029 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.425 H5'' " C3'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.514 -0.961 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-C2'-O2' 108.453 -0.716 . 0.058 7r . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 100.73 -0.856 . 0.058 2[ . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.289 -0.77 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1071 ' ' ' G' . . . . . 0.521 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 110.598 -0.932 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.733 ' H6 ' " O5'" ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 107.635 0.882 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.547 -0.949 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.744 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-O2' 110.692 -0.899 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.531 0.808 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.429 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O4'-C1'-C2' 108.218 1.299 . 0.213 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.429 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C4'-C3' 104.0 -1.072 . 0.691 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.656 ' O2 ' " H3'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.057 1.184 OUTLIER-EPSILON 0.125 1a . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 0.941 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 OP1-P-O3' 110.044 0.826 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 103.372 -1.52 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C4'-C3' 103.936 -1.117 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.596 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.609 0.864 . 0.543 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.596 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-O2' 110.63 -0.921 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.557 -1.388 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C1'-C2' 108.317 1.37 . 0.467 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.559 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C4'-C3' 103.436 -1.474 . 0.45 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1087 ' ' ' G' . . . . . 0.525 " H2'" " O4'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 108.355 1.397 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 0.941 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.538 1.203 0 C4'-C3'-C2' 105.607 2.907 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.525 " O4'" " H2'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.502 -1.109 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C4'-C3' 103.673 -1.305 . 0.131 4g . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 103.831 -1.192 . 0.158 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.661 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.806 -0.771 . 0.198 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.658 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-O2' 110.565 -0.943 . 0.729 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.912 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.71 1.444 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.492 ' C6 ' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-O2' 110.973 -0.802 . 0.283 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.526 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.634 -0.962 . 0.013 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.912 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 100.313 -1.319 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.737 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 OP1-P-O3' 109.876 0.774 . 0.175 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.715 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 103.299 -1.572 . 0.257 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.715 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 104.077 -1.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.582 " H2'" " O4'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.238 -1.403 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.596 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.67 0.907 . 0.161 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.596 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.991 1.136 . 0.207 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.651 " O2'" " H5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 100.281 -1.354 . 0.222 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.651 " H5'" " O2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.981 -0.8 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.491 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.114 0 O4'-C4'-C3' 103.074 -1.733 . 0.479 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.416 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.569 -0.942 . 0.699 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.416 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 103.137 -1.688 . 0.226 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.494 HG13 ' N ' ' C' ' 2' ' ' ALA . 17.9 pt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.812 0.339 . . . . 10.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.494 ' N ' HG13 ' C' ' 1' ' ' ILE . . . -139.65 109.99 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.642 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.86 124.69 46.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.393 0.997 . . . . 10.0 110.729 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.766 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 74.07 102.31 0.07 Allowed 'General case' 0 CA--C 1.443 -3.137 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.588 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.572 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.539 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 29.5 p -157.92 146.73 19.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.91 -2.405 . . . . 10.0 110.68 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -137.02 -162.47 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.277 -1.783 . . . . 10.0 110.592 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.766 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . 0.406 ' HN1' ' H2 ' ' C' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' DHA . . . . . 0.406 ' H2 ' ' HN1' ' C' ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 119.591 1.087 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 0.1 OUTLIER -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.513 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.513 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.627 ' HB3' ' H61' ' B' 1095 ' ' ' A' . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' H141 ' C' ' 0' ' ' QUA . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 HG11 ' A' ' 60' ' ' VAL . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HB2' ' A' ' 37' ' ' GLU . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 33' ' ' VAL . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 71' ' ' LYS . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 70' ' ' ILE . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD21 ' A' ' 78' ' ' LEU . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 73' ' ' PRO . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' HG12 ' A' ' 85' ' ' ILE . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.422 ' HB ' ' H ' ' A' ' 86' ' ' GLU . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HB ' ' A' ' 85' ' ' ILE . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HD2' ' OP1' ' B' 1064 ' ' ' C' . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.502 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 94' ' ' ARG . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB3' ' CB ' ' A' ' 91' ' ' GLU . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 96' ' ' ILE . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 95' ' ' LYS . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 102' ' ' ARG . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 129' ' ' GLU . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 116' ' ' LEU . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 124' ' ' ALA . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 126' ' ' LYS . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.475 ' H ' HG12 ' A' ' 97' ' ' VAL . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p -71.92 -33.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.148 -0.929 . . . . 10.0 109.757 179.67 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1051 ' ' ' G' . . . . . 0.515 ' N3 ' " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-O2' 110.881 -0.834 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 107.961 1.115 . 0.104 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 103.011 -1.778 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.211 1.294 . 0.743 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1056 ' ' ' G' . . . . . 0.494 " O3'" ' H8 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 103.772 -1.234 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.494 ' H8 ' " O3'" ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 108.37 1.407 . 0.028 9a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 108.07 1.193 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-O2' 110.533 -0.954 . 0.29 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 100.645 -0.95 . 0.47 5z . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 OP1-P-O3' 110.601 1.0 . 0.083 6p . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.842 " O5'" ' H5 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.284 0 C4'-C3'-C2' 105.521 2.821 OUTLIER-DELTA 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C4'-C3'-C2' 103.963 1.263 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1064 ' ' ' C' . . . . . 0.842 ' H5 ' " O5'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O4'--C1' 1.4 -1.127 0 C4'-C3'-C2' 104.528 1.828 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B 1065 ' ' ' U' . . . . . 0.623 " H2'" " O4'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.17 1.47 . 0.0 OUTLIER '7D dist 2a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1066 ' ' ' U' . . . . . 0.73 ' O2 ' " H2'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 108.198 1.284 . 0.137 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.556 " H2'" " O4'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.44 -1.066 0 C3'-C2'-C1' 103.415 2.128 . 0.111 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1068 ' ' ' G' . . . . . 0.556 " O4'" " H2'" ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.784 1.084 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.73 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -1.023 0 C4'-C3'-C2' 104.454 1.754 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1070 ' ' ' A' . . . . . 0.861 " O2'" " H4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-C2'-O2' 108.114 -0.829 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 C4'-C3'-C2' 103.872 1.172 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.406 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.668 0.906 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 110.412 -0.996 . 0.475 5j . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.419 " O5'" ' H8 ' ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C1'-C2'-O2' 108.09 -0.837 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.212 -0.92 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.521 ' H6 ' " O5'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-C1' 100.571 -1.032 . 0.347 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.788 -0.866 . 0.256 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.81 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.98 1.129 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.027 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.471 -0.735 . 0.118 5n . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1080 ' ' ' A' . . . . . 0.546 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.444 -0.771 0 O4'-C4'-C3' 103.446 -1.467 . 0.089 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.546 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O4'--C4' 1.441 -1.012 0 C3'-C2'-C1' 103.012 1.68 . 0.031 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 108.007 1.148 . 0.085 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.505 " H2'" ' N7 ' ' B' 1085 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.628 0.877 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1084 ' ' ' A' . . . . . 0.821 ' N3 ' " H5'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.586 -0.936 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1085 ' ' ' A' . . . . . 0.505 ' N7 ' " H2'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.778 -1.23 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.804 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 110.92 -0.821 . 0.141 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-C2' 108.256 1.326 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.027 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 103.912 1.212 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-O2' 110.567 -0.943 . 0.266 0b . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 1.041 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-O2' 110.75 -0.879 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 1.041 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 100.245 -1.394 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.597 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.47 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 111.06 -0.772 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.757 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 N19-C1'-C2' 115.831 1.519 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.676 ' H8 ' " O5'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 104.078 1.378 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.629 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.891 -1.788 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.861 " H4'" " O2'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-O2' 110.959 -0.807 . 0.311 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1098 ' ' ' A' . . . . . 0.679 " H2'" " O4'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.717 1.655 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.679 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C4'-C3' 103.651 -1.321 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C4'-C3' 103.901 -1.142 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C4'-C3' 104.025 -1.054 . 0.026 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.718 ' H6 ' " O5'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 100.411 -1.21 . 0.012 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.568 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 103.6 -1.357 . 0.704 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 100.517 -1.092 . 0.628 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.423 ' H6 ' " O5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-O2' 110.993 -0.796 . 0.52 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.821 " H5'" ' N3 ' ' B' 1084 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.363 -1.263 . 0.028 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.538 " O4'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 102.825 -1.911 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.701 -1.285 . 0.378 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.574 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.701 0.286 . . . . 10.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' C' ' 3' ' ' DHA . . . -131.63 -86.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.096 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' DHA . . . . . 0.482 ' O ' ' O ' ' C' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.15 126.92 38.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.849 0.749 . . . . 10.0 110.49 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.687 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 73.45 96.81 0.07 Allowed 'General case' 0 CA--C 1.446 -3.029 0 C-N-CA 120.569 -0.453 . . . . 10.0 111.186 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.64 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.881 HG22 ' H ' ' C' ' 9' ' ' DCY . 43.9 m -164.44 153.16 12.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.72 -2.036 . . . . 10.0 112.081 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' DBU . . . . . 0.433 ' N ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' DCY . . . . . 0.881 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.555 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . 0.481 ' N ' HG23 ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 39.7 p -129.59 -163.37 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.512 -1.676 . . . . 10.0 110.493 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.687 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 119.689 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' ' HG3' ' A' ' 74' ' ' PRO . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.676 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 19' ' ' THR . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' A' ' 22' ' ' PRO . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' H ' ' A' ' 25' ' ' GLY . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' H ' ' HB ' ' A' ' 24' ' ' VAL . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HB3' ' C ' ' C' ' 6' ' ' BB9 . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HB3' HG11 ' A' ' 60' ' ' VAL . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 28' ' ' LEU . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.435 ' OG1' HD21 ' A' ' 54' ' ' LEU . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' A' ' 74' ' ' PRO . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD21 ' OG1' ' A' ' 46' ' ' THR . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 31' ' ' HIS . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' OG1' ' A' ' 72' ' ' THR . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.466 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 132' ' ' ALA . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 85' ' ' ILE . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 98' ' ' GLY . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD3' ' H21' ' B' 1063 ' ' ' G' . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 92' ' ' PRO . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 138' ' ' GLU . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 83' ' ' ALA . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' A' ' 104' ' ' GLN . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 101' ' ' THR . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 105' ' ' ILE . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 104' ' ' GLN . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.487 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 113' ' ' MET . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 116' ' ' LEU . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 127' ' ' ILE . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 123' ' ' ALA . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 125' ' ' MET . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m 41.76 54.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.403 -0.808 . . . . 10.0 109.865 179.467 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1051 ' ' ' G' . . . . . 0.877 " H2'" " O4'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 100.733 -0.852 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1052 ' ' ' C' . . . . . 0.877 " O4'" " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C4'-C3' 103.24 -1.614 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.682 0.915 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1054 ' ' ' G' . . . . . 0.437 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.41 1.436 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1055 ' ' ' G' . . . . . 0.437 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.793 -0.865 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C4'-C3' 103.287 -1.58 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1057 ' ' ' A' . . . . . 0.495 ' N3 ' " H2'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 108.094 1.21 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1058 ' ' ' U' . . . . . 0.493 ' H6 ' " O5'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 108.137 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.851 2.151 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1060 ' ' ' U' . . . . . 0.488 " O3'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.852 -1.831 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1061 ' ' ' U' . . . . . 0.488 " H3'" " O3'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 104.45 1.75 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1062 ' ' ' G' . . . . . 0.436 ' N2 ' ' HG2' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-O2' 110.439 -0.986 . 0.0 OUTLIER '7D dist 2h' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1063 ' ' ' G' . . . . . 0.531 ' H21' ' HD3' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.019 1.319 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 102.535 -2.118 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 108.261 1.329 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.852 1.037 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1067 ' ' ' A' . . . . . 0.611 ' H61' " H1'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.861 1.044 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-O2' 110.86 -0.841 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1069 ' ' ' A' . . . . . 0.52 " H1'" ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O4'--C1' 1.404 -0.852 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.128 1.235 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-O2' 110.885 -0.833 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1072 ' ' ' C' . . . . . 0.408 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.928 1.091 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1073 ' ' ' A' . . . . . 0.52 ' N6 ' " H1'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.082 -1.013 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1074 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.756 -0.827 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1075 ' ' ' C' . . . . . 0.724 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C3'-C2'-C1' 100.135 -1.516 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1076 ' ' ' C' . . . . . 0.577 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 104.239 -0.901 . 0.143 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1077 ' ' ' A' . . . . . 0.577 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.453 -1.462 . 0.712 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1078 ' ' ' U' . . . . . 0.715 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-O2' 110.672 -0.906 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1079 ' ' ' C' . . . . . 1.052 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.589 0.849 . 0.0 OUTLIER '7D dist 5n wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.118 -1.702 . 0.871 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1081 ' ' ' U' . . . . . 0.45 ' N3 ' ' N1 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 C3'-C2'-O2' 110.52 -0.959 . 0.476 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1082 ' ' ' U' . . . . . 0.805 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.904 -1.14 . 0.366 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1083 ' ' ' U' . . . . . 0.805 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 108.068 1.192 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 108.063 1.188 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.86 1.043 . 0.559 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B 1086 ' ' ' A' . . . . . 0.653 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.007 -1.066 . 0.09 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1087 ' ' ' G' . . . . . 0.503 " O2'" " H5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C3'-C2'-O2' 110.597 -0.932 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1088 ' ' ' A' . . . . . 1.052 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C4'-C3'-C2' 104.462 1.762 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1089 ' ' ' G' . . . . . 0.439 " O4'" " H1'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.779 0.985 . 0.092 0b . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1090 ' ' ' U' . . . . . 0.541 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.635 0.882 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1091 ' ' ' G' . . . . . 0.541 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 100.284 -1.352 . 0.06 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1092 ' ' ' C' . . . . . 0.633 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 100.762 -0.82 . 0.042 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1093 ' ' ' G' . . . . . 0.413 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1094 ' ' ' U' . . . . . 0.748 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 102.902 -1.856 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1095 ' ' ' A' . . . . . 0.611 " H1'" ' H61' ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 108.077 1.198 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1096 ' ' ' A' . . . . . 0.443 " H3'" ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1097 ' ' ' C' . . . . . 0.748 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.829 -0.852 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.081 1.201 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1099 ' ' ' G' . . . . . 0.573 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 O4'-C4'-C3' 103.781 -1.228 . 0.773 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1100 ' ' ' C' . . . . . 0.573 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C4'-C3' 103.737 -1.259 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1101 ' ' ' U' . . . . . 0.538 " H2'" ' C5 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C4'-C3' 103.628 -1.337 . 0.447 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1102 ' ' ' C' . . . . . 0.808 " H2'" " O4'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.562 -1.042 . 0.371 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1103 ' ' ' A' . . . . . 0.808 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.985 -1.082 . 0.725 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1104 ' ' ' C' . . . . . 0.437 ' C6 ' " H3'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 99.909 -1.768 . 0.013 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1105 ' ' ' C' . . . . . 0.618 " H2'" " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 100.591 -1.01 . 0.407 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1106 ' ' ' A' . . . . . 0.618 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C4'-C3' 103.187 -1.652 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B 1107 ' ' ' G' . . . . . 0.517 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.158 -1.492 . 0.218 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B 1108 ' ' ' C' . . . . . 0.517 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.637 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 0' ' ' QUA . . . . . 0.466 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ILE . . . . . 0.547 ' N ' HD12 ' C' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.86 0.362 . . . . 10.0 110.621 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.72 102.18 6.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.714 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.65 121.37 34.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.152 0.887 . . . . 10.0 110.304 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' SER . . . . . 0.718 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 74.63 99.49 0.07 Allowed 'General case' 0 CA--C 1.448 -2.952 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.259 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 6' ' ' BB9 . . . . . 0.646 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' THR . . . . . 0.511 HG23 ' O ' ' C' ' 6' ' ' BB9 . 0.1 OUTLIER -170.79 140.2 1.61 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 112.959 -1.928 . . . . 10.0 111.524 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 8' ' ' DBU . . . . . 0.486 ' HG2' ' C5 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TS9 . . . . . 0.405 HD13 ' P ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -125.56 -166.79 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.157 -2.292 . . . . 10.0 109.897 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' BB9 . . . . . 0.718 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 119.557 1.071 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG3' ' A' ' 17' ' ' LYS . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.643 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.643 ' CD ' ' H ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' H ' HG13 ' A' ' 35' ' ' ILE . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 36' ' ' MET . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.664 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.664 HD11 HG21 ' A' ' 46' ' ' THR . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.435 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.435 ' HD2' HG22 ' A' ' 72' ' ' THR . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 129' ' ' GLU . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.577 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 113' ' ' MET . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 116' ' ' LEU . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.442 ' HA ' ' HG2' ' A' ' 126' ' ' LYS . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 123' ' ' ALA . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 124' ' ' ALA . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 105' ' ' ILE . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' THR . 16.9 m . . . . . 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.733 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 mm-40 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.674 HD11 HG21 ' A' ' 46' ' ' THR . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HG2' ' CD1' ' A' ' 77' ' ' PHE . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 137' ' ' ILE . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.447 ' N ' HG12 ' A' ' 96' ' ' ILE . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.662 ' O ' HG13 ' A' ' 105' ' ' ILE . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 103' ' ' LYS . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 102' ' ' ARG . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.421 ' HZ3' ' HB3' ' A' ' 112' ' ' LYS . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.587 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 113' ' ' MET . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 85' ' ' ILE . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 101' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 53' ' ' ILE . 9.8 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.65 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.65 ' CD ' ' H ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.414 ' HB3' HG11 ' A' ' 60' ' ' VAL . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.626 HG22 ' HG2' ' A' ' 12' ' ' GLN . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 31' ' ' HIS . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' THR . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 108' ' ' ILE . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 86' ' ' GLU . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 97' ' ' VAL . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 91' ' ' GLU . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 89' ' ' SER . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 101' ' ' THR . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.442 ' H ' HG22 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 108' ' ' ILE . 8.6 tp-100 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.526 HG13 HD23 ' A' ' 78' ' ' LEU . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.516 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 113' ' ' MET . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.454 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.579 HG13 ' N ' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.579 ' N ' HG13 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 135' ' ' MET . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 131' ' ' THR . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.665 HG13 ' H ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.665 ' H ' HG13 ' A' ' 139' ' ' VAL . 7.8 p . . . . . 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HA ' HD13 ' A' ' 53' ' ' ILE . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.591 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.482 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 HG11 ' A' ' 33' ' ' VAL . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 28' ' ' LEU . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 36' ' ' MET . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.535 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 41' ' ' ARG . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 14' ' ' PRO . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' THR . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.634 ' HB3' ' SD ' ' A' ' 135' ' ' MET . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' SER . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.43 ' OG ' ' HA3' ' A' ' 136' ' ' GLY . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 104' ' ' GLN . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.467 ' HE3' ' OE1' ' A' ' 106' ' ' GLU . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.475 ' HB3' HG13 ' A' ' 100' ' ' VAL . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HZ3' ' CG ' ' A' ' 115' ' ' ASP . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.42 ' CG ' ' HZ3' ' A' ' 112' ' ' LYS . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 126' ' ' LYS . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 123' ' ' ALA . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 76' ' ' SER . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.43 ' HA3' ' OG ' ' A' ' 89' ' ' SER . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' THR . 19.0 m . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' A' ' 17' ' ' LYS . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 17' ' ' LYS . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.553 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.818 HG13 ' H ' ' A' ' 25' ' ' GLY . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.818 ' H ' HG13 ' A' ' 24' ' ' VAL . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' SD ' ' A' ' 36' ' ' MET . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.449 ' SD ' HG13 ' A' ' 35' ' ' ILE . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.482 ' OD1' ' HA2' ' A' ' 16' ' ' GLY . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.467 ' HE2' ' OD2' ' A' ' 115' ' ' ASP . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 85' ' ' ILE . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.453 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.453 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 104' ' ' GLN . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 103' ' ' LYS . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 73' ' ' PRO . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.517 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 113' ' ' MET . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD2' ' HE2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 135' ' ' MET . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 131' ' ' THR . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 97' ' ' VAL . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.607 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 38' ' ' PHE . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 60' ' ' VAL . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.536 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 31' ' ' HIS . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.437 ' HD3' ' O ' ' A' ' 76' ' ' SER . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 85' ' ' ILE . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.64 HG12 ' H ' ' A' ' 86' ' ' GLU . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.64 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' OE1' ' HG3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' THR . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . 0.515 ' HA ' ' SD ' ' A' ' 113' ' ' MET . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 115' ' ' ASP . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.42 ' HB3' ' HG2' ' A' ' 112' ' ' LYS . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 133' ' ' LYS . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 30.8 t . . . . . 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' OE1' ' HB3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.684 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.461 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.425 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' ' 60' ' ' VAL . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 35' ' ' ILE . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.411 ' HB ' HG22 ' A' ' 67' ' ' THR . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 31' ' ' HIS . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 59' ' ' THR . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 75' ' ' ALA . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 138' ' ' GLU . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.479 ' HA ' HD12 ' A' ' 108' ' ' ILE . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 105' ' ' ILE . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 113' ' ' MET . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' ILE . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 126' ' ' LYS . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.481 HG21 HD11 ' A' ' 116' ' ' LEU . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA2' ' HE2' ' A' ' 133' ' ' LYS . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . 0.46 ' HB ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.423 ' HE2' ' HA2' ' A' ' 130' ' ' GLY . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . 0.54 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 12.1 t . . . . . 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' A' ' 60' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.598 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' ' H ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 21' ' ' ALA . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.46 ' CG ' ' HB2' ' A' ' 20' ' ' PRO . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.568 HG13 HD13 ' A' ' 28' ' ' LEU . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 HG13 ' A' ' 24' ' ' VAL . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.409 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HG3' ' H ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.581 ' HD2' HG22 ' A' ' 72' ' ' THR . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 79' ' ' LEU . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 108' ' ' ILE . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 86' ' ' GLU . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.436 ' HB2' ' OE1' ' A' ' 91' ' ' GLU . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' GLU . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HB ' ' OE2' ' A' ' 138' ' ' GLU . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.523 HD13 HD12 ' A' ' 79' ' ' LEU . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 112' ' ' LYS . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 127' ' ' ILE . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 124' ' ' ALA . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' LYS . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t . . . . . 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 55' ' ' PRO . 3.8 pt20 -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.513 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.513 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 HG11 ' A' ' 60' ' ' VAL . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HB2' ' A' ' 37' ' ' GLU . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 33' ' ' VAL . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 71' ' ' LYS . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 70' ' ' ILE . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD21 ' A' ' 78' ' ' LEU . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 73' ' ' PRO . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' HG12 ' A' ' 85' ' ' ILE . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.422 ' HB ' ' H ' ' A' ' 86' ' ' GLU . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HB ' ' A' ' 85' ' ' ILE . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.502 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 94' ' ' ARG . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB3' ' CB ' ' A' ' 91' ' ' GLU . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 96' ' ' ILE . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 95' ' ' LYS . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 102' ' ' ARG . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 129' ' ' GLU . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 116' ' ' LEU . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 124' ' ' ALA . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 126' ' ' LYS . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.475 ' H ' HG12 ' A' ' 97' ' ' VAL . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' ' HG3' ' A' ' 74' ' ' PRO . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.676 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 19' ' ' THR . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' A' ' 22' ' ' PRO . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' H ' ' A' ' 25' ' ' GLY . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.456 ' H ' ' HB ' ' A' ' 24' ' ' VAL . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HB3' HG11 ' A' ' 60' ' ' VAL . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 28' ' ' LEU . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.435 ' OG1' HD21 ' A' ' 54' ' ' LEU . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' A' ' 74' ' ' PRO . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.435 HD21 ' OG1' ' A' ' 46' ' ' THR . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 31' ' ' HIS . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' OG1' ' A' ' 72' ' ' THR . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.466 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 132' ' ' ALA . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 85' ' ' ILE . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 98' ' ' GLY . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.459 ' C ' ' H ' ' A' ' 94' ' ' ARG . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 92' ' ' PRO . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 138' ' ' GLU . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 83' ' ' ALA . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' A' ' 104' ' ' GLN . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 101' ' ' THR . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 105' ' ' ILE . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 104' ' ' GLN . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.487 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 113' ' ' MET . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 116' ' ' LEU . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 127' ' ' ILE . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 123' ' ' ALA . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 125' ' ' MET . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.2 tp -129.18 141.23 47.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-O 121.349 0.595 . . . . 10.0 111.356 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.405 ' HE3' ' OP1' ' B' 1058 ' ' ' U' . 2.8 ptpt -131.14 142.0 50.18 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.501 -0.925 . . . . 10.0 108.501 179.019 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -160.88 -179.43 7.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.564 0.221 . . . . 10.0 110.919 -178.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -127.25 108.14 10.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.79 0.328 . . . . 10.0 110.266 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.1 mt -110.79 150.97 42.57 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.164 -0.471 . . . . 10.0 110.324 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.432 ' HB2' ' HG3' ' A' ' 17' ' ' LYS . 3.1 Cg_exo -75.89 125.78 8.96 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.436 2.091 . . . . 10.0 111.707 179.249 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.63 111.8 2.23 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.754 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.52 -19.66 12.67 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.622 -0.799 . . . . 10.0 113.876 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.432 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 12.2 ptpt -136.96 115.05 11.55 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 117.586 0.693 . . . . 10.0 112.449 -179.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -152.27 111.33 3.85 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.169 178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.643 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 14.7 t -177.73 -28.13 0.0 OUTLIER Pre-proline 0 CA--C 1.549 0.911 0 N-CA-C 114.144 1.164 . . . . 10.0 114.144 -179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.643 ' CD ' ' H ' ' A' ' 19' ' ' THR . 50.2 Cg_exo -56.73 132.99 55.11 Favored 'Trans proline' 0 C--N 1.367 1.547 0 CA-C-N 121.263 1.487 . . . . 10.0 112.368 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' O ' ' HD3' ' A' ' 26' ' ' PRO . . . -65.73 -47.48 65.89 Favored Pre-proline 0 CA--C 1.538 0.514 0 N-CA-C 113.675 0.991 . . . . 10.0 113.675 -179.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.44 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 87.8 Cg_exo -46.2 -50.99 9.24 Favored 'Trans proline' 0 CA--C 1.549 1.236 0 C-N-CA 122.447 2.098 . . . . 10.0 116.156 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.478 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.3 Cg_exo -81.93 -72.03 0.01 OUTLIER 'Trans proline' 0 C--N 1.355 0.905 0 C-N-CA 122.044 1.829 . . . . 10.0 115.352 -177.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.5 p -77.14 -18.04 14.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 113.381 0.882 . . . . 10.0 113.381 -176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.06 -66.24 3.0 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 115.666 1.026 . . . . 10.0 115.666 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.654 ' HD3' ' O ' ' A' ' 21' ' ' ALA . 7.2 Cg_exo -72.7 -48.04 0.33 Allowed 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.585 2.19 . . . . 10.0 113.773 -177.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -43.76 -48.44 8.07 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.861 0.689 . . . . 10.0 112.861 -178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 mp -93.28 -29.19 15.8 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.779 0.323 . . . . 10.0 111.201 -179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.25 -28.58 73.17 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.858 -0.687 . . . . 10.0 112.95 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -72.48 -4.12 28.47 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.72 0.295 . . . . 10.0 111.543 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -116.49 16.01 15.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.951 0.405 . . . . 10.0 110.388 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.35 20.64 79.57 Favored Glycine 0 CA--C 1.52 0.351 0 CA-C-N 115.749 -0.659 . . . . 10.0 113.718 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -79.89 128.43 38.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.863 0.363 . . . . 10.0 111.578 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -73.5 96.21 2.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.687 178.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' H ' HG13 ' A' ' 35' ' ' ILE . 22.3 mt -51.5 -46.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.4 -0.818 . . . . 10.0 112.702 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.57 ' O ' ' HG3' ' A' ' 40' ' ' LYS . 4.4 ptt? -64.54 -33.19 75.33 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.597 0.591 . . . . 10.0 112.597 -178.045 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -82.74 -28.69 30.26 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.486 -0.486 . . . . 10.0 110.293 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 51.5 t80 -71.55 -44.83 63.85 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.923 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -61.23 -47.91 83.89 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.267 -0.424 . . . . 10.0 111.814 -178.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' HG3' ' O ' ' A' ' 36' ' ' MET . 34.5 mttp -61.03 -44.5 97.31 Favored 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 121.011 -0.275 . . . . 10.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -62.05 -51.73 66.82 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.352 -179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -62.14 -41.41 98.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 10.0 111.738 -179.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.54 -10.54 59.53 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.303 0.483 . . . . 10.0 112.303 -178.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.84 -45.05 10.04 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.961 0.41 . . . . 10.0 112.039 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -79.08 -48.75 13.79 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 120.963 0.411 . . . . 10.0 111.459 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.664 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -77.66 17.79 0.51 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.462 0.912 . . . . 10.0 113.462 -178.638 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.05 -25.36 58.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.495 0.664 . . . . 10.0 109.808 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -67.48 -22.64 65.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.853 -1.067 . . . . 10.0 111.644 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.7 mtpt -124.4 34.22 5.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.721 0.296 . . . . 10.0 110.988 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.72 130.84 37.99 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.968 -0.56 . . . . 10.0 112.241 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 108.12 -14.42 36.99 Favored Glycine 0 C--N 1.33 0.204 0 CA-C-N 115.826 -0.624 . . . . 10.0 112.665 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.1 ttm -99.88 143.79 29.69 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.868 0.366 . . . . 10.0 111.384 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 27.7 mm -94.0 125.34 46.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 108.818 -0.808 . . . . 10.0 108.818 178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.664 HD11 HG21 ' A' ' 46' ' ' THR . 0.3 OUTLIER -142.13 155.05 65.29 Favored Pre-proline 0 C--N 1.321 -0.637 0 C-N-CA 120.854 -0.338 . . . . 10.0 111.606 -178.674 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 4.4 Cg_exo -79.95 139.57 13.79 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.006 2.471 . . . . 10.0 112.497 179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.0 t -120.45 128.1 75.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.594 -0.73 . . . . 10.0 110.027 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 t -105.14 109.74 28.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 108.739 -0.837 . . . . 10.0 108.739 178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.9 mp -107.24 119.91 57.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.082 0.468 . . . . 10.0 110.919 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 9.4 p -99.92 110.98 23.31 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.953 -0.567 . . . . 10.0 110.049 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 1.2 t -105.78 143.67 16.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.048 -0.524 . . . . 10.0 109.913 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.94 -168.04 1.69 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.572 -0.286 . . . . 10.0 110.991 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -61.41 -41.5 97.25 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 121.129 0.49 . . . . 10.0 109.962 179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -70.73 144.23 51.02 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 107.842 -1.17 . . . . 10.0 107.842 177.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.9 50.98 0.37 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.274 0.559 . . . . 10.0 111.5 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.7 m -132.65 164.5 26.57 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.42 -0.956 . . . . 10.0 108.42 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -157.7 174.57 15.13 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.35 0.595 . . . . 10.0 112.028 -178.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.44 146.91 37.1 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 10.0 108.07 178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -129.26 146.71 51.11 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.325 0.583 . . . . 10.0 111.827 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 mt -124.25 137.05 58.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.449 -0.796 . . . . 10.0 109.547 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.5 tt -95.35 147.38 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.302 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -131.81 158.85 40.18 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.811 0.339 . . . . 10.0 110.214 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.435 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -67.62 158.04 84.07 Favored Pre-proline 0 C--N 1.324 -0.529 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.623 178.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.435 ' HD2' HG22 ' A' ' 72' ' ' THR . 17.8 Cg_endo -59.91 148.18 89.71 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.655 2.237 . . . . 10.0 112.721 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.86 153.99 75.2 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 123.035 2.49 . . . . 10.0 113.293 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.31 -38.15 76.52 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.597 -0.728 . . . . 10.0 111.129 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.3 -38.54 68.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.778 -0.646 . . . . 10.0 111.287 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -73.46 -40.47 64.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.241 -0.436 . . . . 10.0 110.76 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -63.94 -45.92 87.03 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.696 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.8 mt -59.64 -38.7 82.1 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.628 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -65.83 -44.47 85.47 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.138 0.494 . . . . 10.0 110.994 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 67.6 mmtt -72.72 -27.87 62.32 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.035 -0.529 . . . . 10.0 110.945 -178.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.75 -45.17 60.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.211 -0.45 . . . . 10.0 110.435 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.34 -26.16 62.71 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.066 -0.515 . . . . 10.0 110.912 179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 94.71 37.75 5.16 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.537 -0.84 . . . . 10.0 112.253 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 48.9 pt -128.33 153.92 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.794 0.33 . . . . 10.0 110.645 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -103.11 -27.46 12.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.425 0.631 . . . . 10.0 110.172 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.7 ttmt -126.03 141.49 51.94 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.559 -0.746 . . . . 10.0 109.967 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -74.53 -174.54 32.51 Favored Glycine 0 N--CA 1.446 -0.64 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.628 179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -92.12 133.21 35.97 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 122.555 -0.38 . . . . 10.0 110.417 -179.406 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 36.3 t -58.53 -45.57 88.6 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.381 -0.6 . . . . 10.0 109.381 178.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.408 ' HA ' " H1'" ' B' 1076 ' ' ' C' . 5.7 mp0 -121.87 100.88 42.91 Favored Pre-proline 0 CA--C 1.536 0.409 0 N-CA-C 108.84 -0.8 . . . . 10.0 108.84 178.126 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -42.91 -75.13 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.845 3.696 . . . . 10.0 116.529 -177.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 1.7 ptpp? -83.39 25.59 0.73 Allowed 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 121.098 0.475 . . . . 10.0 111.405 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.93 -46.13 2.45 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -121.89 107.91 12.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.338 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.6 tt -79.89 128.14 38.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 49.9 t -112.16 -51.25 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 111.705 0.261 . . . . 10.0 111.705 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.437 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -129.16 172.29 19.76 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.179 -1.01 . . . . 10.0 112.874 -179.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 16.7 pttp -142.0 149.48 40.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 10.0 110.853 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.6 t -129.98 147.93 33.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.948 -0.569 . . . . 10.0 109.844 -179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.503 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 9.7 t -98.79 155.71 17.22 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-O 120.524 0.202 . . . . 10.0 110.806 -179.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.6 tpp180 -45.85 -51.64 12.66 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.237 0.829 . . . . 10.0 113.237 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.68 -26.69 68.78 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.035 0.383 . . . . 10.0 112.035 -178.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -77.74 -35.03 52.25 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.408 HD13 ' HG2' ' A' ' 129' ' ' GLU . 75.0 mt -62.52 -39.24 83.76 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.17 0 CA-C-N 115.828 -0.624 . . . . 10.0 109.404 178.584 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' O ' ' HD3' ' A' ' 110' ' ' LYS . 56.4 mt-10 -65.52 -40.85 93.45 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.838 -0.619 . . . . 10.0 109.62 178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -58.83 -48.14 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.731 -0.668 . . . . 10.0 111.654 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.5 tt -71.47 -35.01 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.928 0.394 . . . . 10.0 110.556 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.01 -38.96 92.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.053 -0.521 . . . . 10.0 110.607 179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.406 ' HD3' ' O ' ' A' ' 106' ' ' GLU . 25.0 mtpt -68.32 -34.44 76.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.072 0.463 . . . . 10.0 110.896 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 10.5 m -72.65 -36.24 67.93 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.215 -0.448 . . . . 10.0 111.304 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.545 ' HB3' ' HZ3' ' A' ' 112' ' ' LYS . 5.4 mtpm? -102.94 19.25 19.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.962 0.41 . . . . 10.0 111.168 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.577 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 15.9 tpt -69.27 -46.97 28.71 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.737 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.577 ' HD2' ' N ' ' A' ' 113' ' ' MET . 19.0 Cg_endo -60.06 -12.61 19.85 Favored 'Trans proline' 0 C--N 1.357 0.975 0 C-N-CA 122.165 1.91 . . . . 10.0 113.649 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -121.08 9.95 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.498 0.666 . . . . 10.0 110.717 179.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 116' ' ' LEU . 2.9 tp -92.12 153.9 19.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.408 -0.96 . . . . 10.0 108.408 178.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -93.05 5.8 50.19 Favored 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.942 -0.303 . . . . 10.0 111.016 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -80.16 154.79 27.78 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.143 -0.481 . . . . 10.0 111.627 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -100.61 -50.75 3.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.804 -0.635 . . . . 10.0 109.999 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.54 158.39 15.47 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.915 -0.584 . . . . 10.0 111.264 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 22.9 tp -65.95 -36.25 82.82 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.729 0.3 . . . . 10.0 110.767 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -59.62 -37.22 78.05 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.199 0.523 . . . . 10.0 109.734 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.442 ' HA ' ' HG2' ' A' ' 126' ' ' LYS . . . -71.9 -31.01 65.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.614 -0.721 . . . . 10.0 110.433 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.41 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -73.95 -33.56 63.96 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.497 0.665 . . . . 10.0 110.471 179.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 27.3 ttm -69.68 -44.43 70.48 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.341 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.442 ' HG2' ' HA ' ' A' ' 123' ' ' ALA . 21.1 ptmt -65.5 -42.85 91.64 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.988 0.736 . . . . 10.0 112.988 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.0 -39.08 63.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 C-N-CA 120.212 -0.595 . . . . 10.0 109.869 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.41 HG12 ' O ' ' A' ' 124' ' ' ALA . 46.2 mm -65.28 -43.68 95.09 Favored 'Isoleucine or valine' 0 C--O 1.236 0.377 0 N-CA-C 110.264 -0.272 . . . . 10.0 110.264 178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HG2' HD13 ' A' ' 105' ' ' ILE . 42.7 mt-10 -59.21 -36.37 75.29 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.493 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -58.32 -50.77 63.35 Favored Glycine 0 N--CA 1.446 -0.66 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.449 179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -36.54 84.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.764 0.316 . . . . 10.0 111.117 179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.44 -53.79 54.38 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.094 -0.503 . . . . 10.0 111.885 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 14.9 pttp -65.74 -27.82 68.59 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 111.782 0.29 . . . . 10.0 111.782 -178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 45.7 m -88.18 0.07 56.49 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.763 0.316 . . . . 10.0 111.37 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 10.4 ttm -111.89 -9.65 14.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.982 0.42 . . . . 10.0 110.69 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.33 34.17 6.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.606 -0.807 . . . . 10.0 111.872 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.437 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 45.6 mm -117.58 119.83 62.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.634 -0.506 . . . . 10.0 109.634 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -77.95 134.82 37.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.962 0.41 . . . . 10.0 110.332 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 1.6 p -94.94 121.03 45.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.946 -0.57 . . . . 10.0 109.642 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 101' ' ' THR . 16.9 m -116.07 135.07 57.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.169 -0.468 . . . . 10.0 110.166 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.246 0.917 0 CA-C-O 118.651 -0.69 . . . . 10.0 109.995 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . 0.477 ' H8 ' " O5'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 C3'-C2'-C1' 100.306 -1.327 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.84 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 C1'-C2'-O2' 108.57 -0.677 . 0.234 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . 0.48 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C4'-C3' 104.259 -0.886 . 0.201 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.276 -1.589 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 108.009 1.149 . 0.319 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 108.178 1.27 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.677 " H2'" " O4'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-O2' 110.591 -0.934 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.677 " O4'" " H2'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-O2' 110.883 -0.833 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . 0.484 " H5'" " H2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C4'-C3'-C2' 103.688 0.988 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.621 " O2'" H5'' ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 N19-C1'-C2' 116.152 1.72 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.621 H5'' " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C3'-C2'-O2' 110.474 -0.975 . 0.01 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C1'-C2' 108.379 1.414 . 0.129 2h . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 O4'-C1'-C2' 108.71 1.65 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-N19 109.178 0.978 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 107.958 1.113 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 C4'-C3'-C2' 103.926 1.226 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.419 " C2'" " O5'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 108.112 1.223 . 0.03 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . 0.475 ' N2 ' ' H62' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C1'-C2' 108.153 1.252 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.535 " H4'" " O5'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 N19-C1'-C2' 115.176 1.11 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . 0.535 " O5'" " H4'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C4'-C3'-C2' 103.992 1.292 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.422 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C1'-C2' 107.907 1.076 . 0.01 0a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.44 ' H6 ' " O5'" ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C1'-C2' 107.885 1.061 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.612 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.751 0.965 . 0.507 5j . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.612 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C1'-C2' 107.947 1.105 . 0.635 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.483 " H2'" ' C6 ' ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 111.026 -0.784 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.956 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C3'-C2'-O2' 110.939 -0.814 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.956 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.04 0 O4'-C1'-C2' 108.214 1.296 . 0.122 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.483 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.605 0.861 . 0.313 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 0.992 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C4'-C3'-C2' 105.244 2.544 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . 0.571 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C1'-C2' 107.772 0.98 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.571 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.833 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 O4'-C1'-C2' 108.135 1.239 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.833 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-O2' 111.034 -0.781 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 107.955 1.111 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . 0.438 " H1'" " O2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C1'-C2' 108.237 1.312 . 0.077 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.746 0.962 . 0.012 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . 0.412 " O2'" " H5'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 O4'-C1'-C2' 108.709 1.649 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 0.992 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C4'--C3' 1.533 0.816 0 C4'-C3'-C2' 103.959 1.259 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.412 " H5'" " O2'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 104.426 1.726 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.632 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.787 0.991 . 0.0 OUTLIER '7D dist 4g' 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.632 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.821 0 O4'-C4'-C3' 103.806 -1.21 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.666 " H2'" " O4'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-O2' 111.091 -0.762 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.666 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-O2' 110.852 -0.844 . 0.712 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.748 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 O4'-C1'-C2' 108.234 1.31 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.47 ' C6 ' ' O ' ' C' ' 6' ' ' BB9 . . . . . . . . 0 O5'--C5' 1.424 -1.017 0 C3'-C2'-O2' 110.916 -0.822 . 0.189 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.748 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 100.491 -1.121 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.826 0 O4'-C1'-C2' 108.622 1.587 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.791 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 102.986 -1.795 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.791 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 102.979 -1.801 . 0.054 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.504 " H2'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.994 0 O4'-C4'-C3' 104.287 -0.866 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.511 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 111.115 -0.753 . 0.452 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.511 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 C3'-C2'-O2' 111.079 -0.766 . 0.384 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.667 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C3'-C2'-C1' 100.72 -0.867 . 0.389 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.553 " O4'" " H2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.602 0.859 . 0.048 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.613 " O2'" " H5'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 O4'-C4'-C3' 103.698 -1.287 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.739 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 102.67 -2.021 . 0.811 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.739 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C4'-C3' 102.511 -2.135 . 0.682 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.458 ' H13' ' H62' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.703 0.287 . . . . 10.0 111.188 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.65 79.31 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.097 -0.501 . . . . 10.0 110.479 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.435 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -129.67 114.21 15.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 119.105 0.866 . . . . 10.0 109.907 175.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.737 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 70.93 100.35 0.06 Allowed 'General case' 0 CA--C 1.446 -3.04 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.792 -175.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.592 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -162.49 164.59 26.92 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 112.161 -2.29 . . . . 10.0 110.269 177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.552 ' O ' ' C ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.552 ' C ' ' O ' ' C' ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 34.0 p -137.41 -174.14 3.67 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 112.767 -2.015 . . . . 10.0 110.208 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.737 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 119.484 1.038 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 . . . . . 0 N--CA 1.481 1.113 0 N-CA-C 110.004 -0.369 . . . . 10.0 110.004 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.3 tt -129.26 130.5 67.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.047 0.451 . . . . 10.0 111.177 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt -108.26 144.92 35.09 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.059 -0.719 . . . . 10.0 109.059 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.424 ' O ' ' HA ' ' A' ' 55' ' ' PRO . 1.7 pp -162.42 173.89 13.47 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.566 0.222 . . . . 10.0 111.092 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -135.62 98.34 3.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.337 0.589 . . . . 10.0 109.768 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 65.4 mt -105.3 150.8 39.32 Favored Pre-proline 0 C--N 1.319 -0.72 0 CA-C-N 115.804 -0.635 . . . . 10.0 110.881 -179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.96 124.57 11.13 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 122.47 2.114 . . . . 10.0 111.367 178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.36 110.47 1.26 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.816 -0.629 . . . . 10.0 111.444 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.05 -26.19 6.84 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.7 -0.762 . . . . 10.0 113.103 179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -130.21 118.6 21.63 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.396 0.617 . . . . 10.0 111.967 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -154.74 90.76 1.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.291 -0.868 . . . . 10.0 108.909 178.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.733 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 5.6 m -154.08 -50.08 0.01 OUTLIER Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 118.902 -0.57 . . . . 10.0 112.527 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.733 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.8 Cg_exo -34.06 119.7 0.12 Allowed 'Trans proline' 0 C--N 1.372 1.806 0 C-N-CA 123.387 2.724 . . . . 10.0 113.656 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.05 -45.6 96.31 Favored Pre-proline 0 CA--C 1.538 0.487 0 N-CA-C 114.649 1.351 . . . . 10.0 114.649 -178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.59 -53.22 7.18 Favored 'Trans proline' 0 CA--C 1.547 1.16 0 C-N-CA 121.774 1.649 . . . . 10.0 115.367 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.497 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 73.4 Cg_endo -79.96 -65.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 C-N-CA 121.243 1.295 . . . . 10.0 115.41 -178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -77.69 -19.11 13.97 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 113.661 0.986 . . . . 10.0 113.661 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.32 -81.27 0.07 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.162 0.825 . . . . 10.0 115.162 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -60.34 -48.54 11.37 Favored 'Trans proline' 0 CA--C 1.527 0.172 0 C-N-CA 122.958 2.438 . . . . 10.0 114.376 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.52 10.43 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.001 0.741 . . . . 10.0 113.001 -177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.6 mp -93.46 -31.06 14.74 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.716 0.293 . . . . 10.0 110.978 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.98 -33.33 85.26 Favored Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 121.071 -0.585 . . . . 10.0 112.911 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.494 HE22 ' C5 ' ' C' ' 0' ' ' QUA . 49.6 mm-40 -70.29 -7.53 43.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.447 . . . . 10.0 110.858 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -110.22 10.46 23.75 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.358 -0.383 . . . . 10.0 110.659 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.93 19.02 76.01 Favored Glycine 0 CA--C 1.519 0.324 0 CA-C-N 115.754 -0.657 . . . . 10.0 113.588 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.8 t -85.45 128.04 39.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 120.921 0.391 . . . . 10.0 111.703 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 43.3 t-20 -71.52 101.37 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.735 -0.666 . . . . 10.0 109.347 178.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mt -57.88 -52.4 58.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 113.21 0.818 . . . . 10.0 113.21 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -61.55 -33.58 74.09 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.135 0.42 . . . . 10.0 112.135 -178.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -74.53 -44.9 48.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 10.0 110.034 179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -59.06 -42.44 90.35 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.788 -0.642 . . . . 10.0 110.501 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.1 t -52.98 -58.06 8.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.836 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -55.11 -48.5 73.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.829 -0.623 . . . . 10.0 111.401 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.2 tpt85 -59.61 -53.26 60.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.911 -0.586 . . . . 10.0 111.654 -179.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -63.01 -47.19 84.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.276 -0.42 . . . . 10.0 112.117 -178.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -62.68 -29.12 70.41 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.54 -46.66 21.63 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.426 0.528 . . . . 10.0 112.426 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -72.67 -39.26 67.25 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 112.334 0.494 . . . . 10.0 112.334 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.674 HG21 HD11 ' A' ' 54' ' ' LEU . 0.2 OUTLIER -91.58 24.09 3.21 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 112.748 0.647 . . . . 10.0 112.748 -178.097 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.72 58.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.066 0.46 . . . . 10.0 110.35 179.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.75 -35.04 76.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.377 -0.829 . . . . 10.0 111.582 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -111.85 35.19 3.8 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.572 -0.286 . . . . 10.0 111.61 -178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.55 128.25 25.38 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 102.72 -5.8 51.44 Favored Glycine 0 CA--C 1.521 0.464 0 CA-C-N 115.891 -0.595 . . . . 10.0 113.447 179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 59.0 ttm -105.36 143.86 32.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.77 0.319 . . . . 10.0 111.479 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.1 mm -90.71 120.28 39.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 109.164 -0.68 . . . . 10.0 109.164 178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.674 HD11 HG21 ' A' ' 46' ' ' THR . 0.4 OUTLIER -139.06 150.4 64.82 Favored Pre-proline 0 C--N 1.324 -0.516 0 C-N-CA 120.884 -0.326 . . . . 10.0 111.25 -178.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.424 ' HA ' ' O ' ' A' ' 11' ' ' LEU . 91.1 Cg_endo -78.67 144.83 19.97 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.79 2.327 . . . . 10.0 112.748 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 t -128.53 131.3 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.549 -0.75 . . . . 10.0 110.107 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 48.0 t -103.45 109.3 26.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 109.437 -0.579 . . . . 10.0 109.437 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.3 mp -106.49 115.29 47.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.135 0.493 . . . . 10.0 110.835 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -99.5 114.33 27.24 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.704 -0.68 . . . . 10.0 109.462 178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -94.53 144.63 9.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.603 -179.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 38.0 m-85 -103.71 -175.8 2.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.112 -0.494 . . . . 10.0 109.692 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -69.46 -41.48 76.15 Favored 'General case' 0 CA--C 1.513 -0.444 0 N-CA-C 107.798 -1.186 . . . . 10.0 107.798 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -68.36 167.2 15.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.283 -1.326 . . . . 10.0 108.821 177.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.521 ' HD3' ' N ' ' A' ' 64' ' ' LYS . 2.1 mppt? -78.41 43.16 0.45 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-O 120.962 0.411 . . . . 10.0 111.11 -178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 m -127.31 161.4 28.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.258 -0.428 . . . . 10.0 110.174 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -150.86 172.24 15.96 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.329 -0.396 . . . . 10.0 110.983 -178.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.32 141.01 33.91 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.826 -0.805 . . . . 10.0 108.826 179.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 2.8 p90 -128.79 147.21 50.77 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.386 -0.525 . . . . 10.0 111.904 -179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.6 mt -130.95 137.69 55.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.417 -0.81 . . . . 10.0 109.628 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 7.2 tt -93.71 148.63 4.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -133.73 163.39 29.57 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.976 -0.379 . . . . 10.0 109.976 179.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.34 151.59 76.09 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.002 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -59.81 145.5 98.07 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.41 2.073 . . . . 10.0 112.385 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.532 ' HA ' ' P ' ' B' 1060 ' ' ' U' . 13.4 Cg_endo -58.43 146.24 91.05 Favored 'Trans proline' 0 C--O 1.235 0.354 0 C-N-CA 123.049 2.499 . . . . 10.0 113.462 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.63 -38.76 72.56 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.514 -0.766 . . . . 10.0 111.049 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -56.48 -37.32 70.18 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.94 179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.426 ' O ' ' HG2' ' A' ' 81' ' ' LYS . 6.4 m-85 -74.94 -42.94 56.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 10.0 110.325 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -57.51 -46.59 83.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.834 -0.621 . . . . 10.0 110.662 179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.0 -33.54 75.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.088 -0.505 . . . . 10.0 111.471 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -71.83 -39.96 69.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 10.0 110.799 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 77' ' ' PHE . 30.4 mmmt -73.93 -29.4 62.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.316 -0.402 . . . . 10.0 110.234 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.03 -42.44 57.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.068 -0.515 . . . . 10.0 111.192 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -72.88 -21.1 60.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 10.0 111.04 179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 86.66 37.9 8.44 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 120.829 -0.701 . . . . 10.0 112.328 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.408 HD13 HD11 ' A' ' 137' ' ' ILE . 45.2 pt -125.39 150.05 30.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.635 0.255 . . . . 10.0 110.338 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -99.66 -28.24 13.28 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.391 0.615 . . . . 10.0 110.101 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.502 ' HA ' ' OP1' ' B' 1064 ' ' ' C' . 3.0 ttmm -135.37 141.0 45.45 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 115.317 -0.856 . . . . 10.0 109.356 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -79.08 -170.05 38.16 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.361 -0.923 . . . . 10.0 110.879 179.13 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 7.9 p -92.32 143.19 26.65 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.009 -0.737 . . . . 10.0 109.009 179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.7 t -63.51 -23.93 67.6 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.054 -0.721 . . . . 10.0 109.054 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.401 ' HG2' " H4'" ' B' 1076 ' ' ' C' . 1.6 mt-10 -129.51 128.1 23.08 Favored Pre-proline 0 N--CA 1.445 -0.722 0 N-CA-C 108.201 -1.037 . . . . 10.0 108.201 178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -75.4 -63.35 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.165 1.91 . . . . 10.0 114.9 -177.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' HE2' " H5'" ' B' 1077 ' ' ' A' . 39.7 pttt -85.68 28.23 0.79 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.692 0.758 . . . . 10.0 109.881 -179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.572 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 1.8 tmt_? -149.39 95.6 2.38 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.865 -1.161 . . . . 10.0 107.865 179.603 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.572 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 42.6 mttm 88.35 99.09 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.81 0 O-C-N 124.388 1.055 . . . . 10.0 111.521 -179.091 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.447 HG12 ' N ' ' A' ' 97' ' ' VAL . 0.3 OUTLIER -81.62 139.95 17.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.304 0 CA-C-N 115.659 -0.7 . . . . 10.0 110.632 179.413 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.447 ' N ' HG12 ' A' ' 96' ' ' ILE . 4.5 t -97.05 -60.71 2.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 C-N-CA 121.149 -0.22 . . . . 10.0 110.703 179.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -135.29 178.65 18.43 Favored Glycine 0 N--CA 1.453 -0.221 0 C-N-CA 120.887 -0.673 . . . . 10.0 112.348 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.0 pttt -132.82 156.96 46.19 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.005 0.431 . . . . 10.0 111.107 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 80.7 t -135.09 149.18 28.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.783 -0.644 . . . . 10.0 109.312 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 13.1 t -95.87 156.23 16.42 Favored 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 110.209 -0.293 . . . . 10.0 110.209 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.662 ' O ' HG13 ' A' ' 105' ' ' ILE . 5.5 tpp180 -54.46 -42.65 70.87 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.654 0.613 . . . . 10.0 112.654 -178.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 103' ' ' LYS . 9.5 mmtp -68.0 -20.07 64.99 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.523 -0.471 . . . . 10.0 111.28 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -82.21 -38.68 24.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.335 -0.393 . . . . 10.0 110.111 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.662 HG13 ' O ' ' A' ' 102' ' ' ARG . 1.4 pp -69.62 -27.91 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.074 0 C-N-CA 120.308 -0.557 . . . . 10.0 109.849 178.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -67.42 -39.03 85.46 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.278 -0.638 . . . . 10.0 109.278 177.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.74 -41.36 99.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.279 -0.873 . . . . 10.0 111.548 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 tt -76.01 -31.82 22.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.624 -0.431 . . . . 10.0 110.192 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.23 95.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.501 . . . . 10.0 109.755 178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 42.9 mtpt -68.1 -31.17 70.59 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.949 -0.568 . . . . 10.0 110.265 178.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 82.4 m -71.97 -38.94 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.457 -0.792 . . . . 10.0 111.294 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.45 ' HB3' ' HZ3' ' A' ' 112' ' ' LYS . 6.1 mtpm? -103.42 25.96 8.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.024 0.44 . . . . 10.0 111.32 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.587 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 13.9 tpt -71.62 -46.91 12.83 Favored Pre-proline 0 C--N 1.321 -0.669 0 CA-C-N 116.287 -0.415 . . . . 10.0 111.615 179.447 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.587 ' HD2' ' N ' ' A' ' 113' ' ' MET . 30.9 Cg_endo -62.58 -14.65 41.01 Favored 'Trans proline' 0 C--N 1.36 1.157 0 C-N-CA 122.142 1.895 . . . . 10.0 113.982 -179.322 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -116.23 9.77 14.68 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.467 -0.493 . . . . 10.0 111.34 -179.25 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 112' ' ' LYS . 2.7 tp -99.74 164.04 12.22 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.334 -0.617 . . . . 10.0 109.334 178.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -103.68 15.36 29.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.096 0.474 . . . . 10.0 110.43 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.32 150.88 31.34 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.984 -0.553 . . . . 10.0 111.329 -179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -93.95 -52.15 4.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.822 179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 35.6 m -112.3 174.08 6.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.039 0.447 . . . . 10.0 111.755 -179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.38 -47.4 81.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.401 -0.818 . . . . 10.0 112.31 -178.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -59.13 -35.35 73.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 10.0 111.311 -178.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.6 -37.46 79.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.407 . . . . 10.0 110.691 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.23 63.26 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.361 0.601 . . . . 10.0 110.195 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 6.3 ttm -64.46 -42.01 96.2 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.033 -0.985 . . . . 10.0 110.649 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -65.09 -37.61 88.07 Favored 'General case' 0 CA--C 1.53 0.195 0 CA-C-N 116.482 -0.326 . . . . 10.0 111.711 -178.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 22.7 mm -54.94 -49.45 70.72 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 CA-C-O 120.932 0.396 . . . . 10.0 110.973 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.5 mm -60.7 -47.17 94.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.987 -0.551 . . . . 10.0 111.553 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.35 -38.04 85.5 Favored 'General case' 0 C--O 1.236 0.358 0 N-CA-C 111.722 0.267 . . . . 10.0 111.722 -179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -63.74 -41.67 98.86 Favored Glycine 0 C--N 1.329 0.179 0 C-N-CA 120.688 -0.768 . . . . 10.0 111.372 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 3.8 m -70.32 -39.63 74.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.786 0.326 . . . . 10.0 110.171 179.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.09 -52.02 65.79 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 116.117 -0.492 . . . . 10.0 111.507 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 6.3 pttp -64.32 -24.83 67.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.38 -179.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 70.9 m -92.33 0.14 57.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.647 0.26 . . . . 10.0 111.451 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 5.4 mmt -111.46 0.35 16.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.845 0.355 . . . . 10.0 110.856 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.52 29.09 30.85 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.625 -0.798 . . . . 10.0 111.865 -179.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.408 HD11 HD13 ' A' ' 85' ' ' ILE . 45.0 mm -120.81 121.86 66.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.492 -0.559 . . . . 10.0 109.492 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -84.82 128.33 34.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.151 0.501 . . . . 10.0 110.868 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 7.1 p -99.34 123.91 52.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.255 -0.646 . . . . 10.0 109.255 179.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.599 ' O ' ' HA ' ' A' ' 101' ' ' THR . 0.1 OUTLIER -143.57 -171.45 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.772 -0.649 . . . . 10.0 110.28 -178.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.251 1.138 0 CA-C-O 118.523 -0.751 . . . . 10.0 110.49 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C3'-C2'-O2' 110.771 -0.872 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.587 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.431 -0.577 0 C3'-C2'-O2' 111.001 -0.793 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . 0.683 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.688 -0.901 . 0.01 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.526 " O4'" " H2'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.466 1.476 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.537 " H1'" ' H61' ' B' 1084 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 C3'-C2'-O2' 110.61 -0.928 . 0.46 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 O4'-C1'-C2' 107.965 1.118 . 0.178 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.431 ' H8 ' " O5'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C3'-C2'-O2' 110.535 -0.954 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.594 " O2'" " H5'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.813 1.009 . 0.019 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . 0.594 " H5'" " O2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C4'-C3' 103.79 -1.221 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.555 " O2'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 N19-C1'-C2' 116.217 1.76 . 0.0 OUTLIER '7D dist 5q' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.555 " H3'" " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.667 0 C3'-C2'-C1' 100.377 -1.248 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.611 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 103.55 -1.393 . 0.106 2h . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.611 ' C8 ' " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.932 -0.817 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.502 ' OP1' ' HA ' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C1' 1.397 -1.412 0 C4'-C3'-C2' 105.197 2.497 . 0.036 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . 0.596 " H2'" " O4'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 C3'-C2'-O2' 110.904 -0.826 . 0.091 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.775 ' O2 ' " H2'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.244 1.317 . 0.016 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 107.945 1.104 . 0.443 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.356 -1.531 . 0.701 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.775 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -0.971 0 C4'-C3'-C2' 104.698 1.998 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 C4'-C3'-C2' 103.952 1.252 . 0.0 OUTLIER '7D dist 6p' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.826 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.442 -0.955 0 O4'-C4'-C3' 103.064 -1.74 . 0.0 OUTLIER '7D dist 0a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.824 ' H5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.062 0 O4'-C1'-C2' 108.188 1.277 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.421 ' C4 ' ' C2 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 C4'-C3'-C2' 103.772 1.072 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.527 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 100.556 -1.048 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.519 " H3'" ' C6 ' ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 OP1-P-O3' 109.791 0.747 . 0.07 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.519 ' C6 ' " H3'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.843 1.031 . 0.545 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.66 ' N3 ' " H2'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 108.23 1.307 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.438 H5'' " O5'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 O4'-C4'-C3' 102.318 -2.273 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 0.97 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C4'-C3'-C2' 103.878 1.178 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.82 1.014 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.425 ' H6 ' " O5'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-O2' 110.732 -0.885 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.789 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.863 1.045 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.789 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C1'-C2' 108.239 1.314 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . 0.537 ' H61' " H1'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 O4'-C4'-C3' 103.625 -1.34 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.956 0 O4'-C1'-C2' 107.611 0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.576 " H5'" " O2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C4'-C3' 103.632 -1.334 . 0.058 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 103.215 1.905 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 0.97 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 C4'-C3'-C2' 104.841 2.141 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.532 " O2'" ' H5 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C1'-C2' 108.096 1.211 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.719 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 107.745 0.961 . 0.0 OUTLIER '7D dist 2g wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.719 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.166 -0.953 . 0.123 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.668 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 OP1-P-O3' 109.642 0.701 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.029 0 O4'-C1'-C2' 107.569 0.835 . 0.523 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.709 " H2'" ' N7 ' ' B' 1096 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-O2' 110.681 -0.903 . 0.269 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.669 ' C6 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 108.02 1.157 . 0.496 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.709 ' N7 ' " H2'" ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 C3'-C2'-C1' 99.796 -1.893 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.668 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 105.228 -0.837 . 0.012 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.978 " H2'" " O4'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.422 -1.104 0 C5'-C4'-O4' 107.807 -0.995 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.978 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 104.229 -0.908 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.007 0 O4'-C4'-C3' 104.058 -1.03 . 0.601 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 C3'-C2'-C1' 100.52 -1.089 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.482 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 C3'-C2'-C1' 100.628 -0.968 . 0.103 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.482 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 107.792 0.994 . 0.689 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.576 " O2'" " H5'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 100.518 -1.091 . 0.688 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.522 " O4'" " H2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 O4'-C4'-C3' 103.851 -1.178 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.447 " H2'" ' C8 ' ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 O4'-C4'-C3' 103.403 -1.498 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.511 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 O4'-C4'-C3' 103.373 -1.52 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.511 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 O4'-C1'-C2' 107.811 1.008 . 0.441 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.494 ' C5 ' HE22 ' A' ' 30' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 N--CA 1.493 1.704 0 CA-C-O 120.707 0.289 . . . . 10.0 110.749 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.38 162.75 12.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.935 -0.575 . . . . 10.0 110.34 176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.49 126.99 38.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 118.901 0.773 . . . . 10.0 110.057 176.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.809 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 71.31 91.99 0.09 Allowed 'General case' 0 CA--C 1.447 -3.006 0 C-N-CA 120.54 -0.464 . . . . 10.0 110.709 -177.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.555 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.746 HG22 ' H ' ' C' ' 9' ' ' DCY . 7.9 m -153.11 149.28 27.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 112.677 -2.056 . . . . 10.0 111.863 -176.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.746 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.637 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 30.2 p -114.8 -171.17 1.88 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 113.604 -1.635 . . . . 10.0 110.889 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.809 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 119.726 1.148 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.8 pp0? . . . . . 0 N--CA 1.477 0.919 0 N-CA-C 109.88 -0.415 . . . . 10.0 109.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.57 137.57 28.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.861 0.362 . . . . 10.0 110.794 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -102.69 129.39 49.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 10.0 110.087 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.525 HD11 ' C6 ' ' B' 1070 ' ' ' A' . 0.8 OUTLIER -131.89 161.48 32.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.279 -0.419 . . . . 10.0 110.226 -178.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.626 ' HG2' HG22 ' A' ' 53' ' ' ILE . 9.8 tt0 -136.37 78.14 1.69 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 107.981 -1.118 . . . . 10.0 107.981 178.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 95.4 mt -89.75 148.85 40.89 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 115.078 -0.964 . . . . 10.0 111.956 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -64.53 132.09 32.02 Favored 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.79 2.326 . . . . 10.0 111.605 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.22 98.13 0.44 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.161 -0.472 . . . . 10.0 111.49 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.97 -15.69 7.37 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.815 -0.707 . . . . 10.0 113.537 178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.0 ttmt -127.97 100.76 6.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 117.59 0.695 . . . . 10.0 112.491 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -144.29 102.33 3.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.22 -0.659 . . . . 10.0 109.22 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.65 ' H ' ' CD ' ' A' ' 20' ' ' PRO . 4.0 t -177.67 -27.95 0.0 OUTLIER Pre-proline 0 CA--C 1.548 0.875 0 N-CA-C 113.976 1.102 . . . . 10.0 113.976 -179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.65 ' CD ' ' H ' ' A' ' 19' ' ' THR . 23.8 Cg_exo -63.21 131.03 30.66 Favored 'Trans proline' 0 C--N 1.366 1.458 0 CA-C-N 121.355 1.52 . . . . 10.0 111.902 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.15 -47.6 98.8 Favored Pre-proline 0 CA--C 1.543 0.689 0 N-CA-C 114.151 1.167 . . . . 10.0 114.151 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.532 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 48.3 Cg_exo -50.54 -54.28 5.71 Favored 'Trans proline' 0 C--N 1.361 1.214 0 C-N-CA 121.743 1.629 . . . . 10.0 114.489 -179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.618 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.4 Cg_exo -74.05 -64.79 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 121.531 1.488 . . . . 10.0 111.72 179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -107.96 102.18 13.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.827 0.823 . . . . 10.0 109.886 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -168.82 -80.15 0.04 OUTLIER Glycine 0 N--CA 1.443 -0.883 0 N-CA-C 110.132 -1.187 . . . . 10.0 110.132 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.4 -40.09 1.75 Allowed 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.425 2.083 . . . . 10.0 111.988 179.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.65 -54.94 10.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.899 -0.592 . . . . 10.0 111.954 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 mp -87.33 -23.3 24.67 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.44 -0.346 . . . . 10.0 110.543 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.91 -35.7 91.12 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.072 -0.585 . . . . 10.0 112.325 -179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.01 -9.56 53.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.919 0.39 . . . . 10.0 111.158 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.414 ' HB3' HG11 ' A' ' 60' ' ' VAL . 73.6 m80 -102.2 4.72 39.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.474 -0.565 . . . . 10.0 109.474 179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 76.86 21.1 75.1 Favored Glycine 0 C--N 1.33 0.24 0 CA-C-N 115.459 -0.791 . . . . 10.0 112.875 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 94.3 t -83.34 133.26 29.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.327 0.584 . . . . 10.0 111.983 -179.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -75.1 94.49 2.92 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.483 -0.78 . . . . 10.0 110.153 178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 tt -52.37 -52.88 22.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 CA-C-N 115.653 -0.703 . . . . 10.0 112.812 -178.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 89.3 mtp -55.46 -41.48 72.97 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.805 0.336 . . . . 10.0 111.796 -178.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tp10 -69.8 -44.14 70.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.336 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -63.46 -47.23 82.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.426 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 97.2 m -54.33 -52.38 61.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.026 -0.534 . . . . 10.0 111.957 -179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -67.18 -37.7 84.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.327 0.492 . . . . 10.0 112.327 -178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -48.94 54.01 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.986 -0.286 . . . . 10.0 111.386 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -60.61 -46.98 88.23 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.126 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.42 -29.49 69.02 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.478 0.548 . . . . 10.0 112.478 -178.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 -41.18 49.17 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.051 0.389 . . . . 10.0 112.051 -179.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -81.3 -35.24 31.28 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.076 0.399 . . . . 10.0 112.076 -178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.5 t -78.37 -1.03 31.4 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.643 0.608 . . . . 10.0 112.643 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.41 -22.8 66.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.947 0.403 . . . . 10.0 111.507 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.07 -34.91 77.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.824 -0.625 . . . . 10.0 111.926 -179.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HB2' HD11 ' A' ' 54' ' ' LEU . 71.4 mmtt -123.4 34.26 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.448 -0.342 . . . . 10.0 111.49 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.79 136.71 56.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.949 0.404 . . . . 10.0 111.326 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 114.86 -19.09 16.1 Favored Glycine 0 N--CA 1.452 -0.257 0 CA-C-N 115.839 -0.619 . . . . 10.0 111.599 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 52.6 ttp -119.92 154.11 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.871 -0.418 . . . . 10.0 109.871 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.626 HG22 ' HG2' ' A' ' 12' ' ' GLN . 4.0 mm -84.08 133.08 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.413 -0.588 . . . . 10.0 109.413 179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.462 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 84.8 mt -126.99 131.32 23.81 Favored Pre-proline 0 C--N 1.326 -0.42 0 C-N-CA 120.983 -0.287 . . . . 10.0 111.49 -178.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' HB3' ' OP1' ' B' 1061 ' ' ' U' . 10.6 Cg_exo -72.65 132.61 19.05 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.781 2.321 . . . . 10.0 111.318 178.636 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -131.68 125.99 56.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.192 0.52 . . . . 10.0 111.355 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.6 p -100.23 114.76 39.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.813 -0.81 . . . . 10.0 108.813 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.9 tt -113.3 123.11 68.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.591 0.71 . . . . 10.0 111.289 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 8.5 m -104.65 112.73 25.93 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.432 -0.803 . . . . 10.0 110.113 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.414 HG11 ' HB3' ' A' ' 31' ' ' HIS . 13.7 p -87.81 145.0 8.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 109.542 -0.54 . . . . 10.0 109.542 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -96.19 -174.56 3.12 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.519 0.2 . . . . 10.0 110.787 -179.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.2 mm-40 -66.8 -52.93 38.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.839 0.352 . . . . 10.0 110.989 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -95.43 76.09 3.34 Favored 'General case' 0 CA--C 1.508 -0.654 0 CA-C-N 116.399 -0.364 . . . . 10.0 110.454 179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.2 mtmt 51.94 -143.69 0.66 Allowed 'General case' 0 C--O 1.236 0.389 0 N-CA-C 108.136 -1.061 . . . . 10.0 108.136 -178.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.3 m 63.87 159.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.512 0.672 . . . . 10.0 111.253 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -166.88 171.77 10.97 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-O 121.296 0.569 . . . . 10.0 111.414 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.0 t -144.31 138.07 27.63 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 107.891 -1.151 . . . . 10.0 107.891 178.501 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -135.41 142.07 45.57 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.621 0.6 . . . . 10.0 112.621 -178.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 44.1 mm -125.96 138.84 53.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.039 -0.982 . . . . 10.0 109.391 179.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.1 mt -93.86 140.69 16.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.674 0.273 . . . . 10.0 110.385 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 72' ' ' THR . 7.9 tttt -102.13 144.62 30.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.09 -0.505 . . . . 10.0 111.076 -179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 71' ' ' LYS . 42.9 p -60.83 154.66 57.34 Favored Pre-proline 0 C--O 1.234 0.262 0 CA-C-N 116.135 -0.484 . . . . 10.0 111.228 179.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.36 127.25 5.52 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.532 2.822 . . . . 10.0 112.934 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HA ' ' OP2' ' B' 1060 ' ' ' U' . 25.4 Cg_endo -63.59 150.3 88.83 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 122.628 2.218 . . . . 10.0 112.358 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -57.05 -38.51 73.31 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.139 -0.482 . . . . 10.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.5 t -52.77 -38.87 61.65 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.723 -0.671 . . . . 10.0 111.811 179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -75.0 -45.35 42.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.361 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD23 HG13 ' A' ' 108' ' ' ILE . 27.3 tp -60.15 -46.44 89.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.546 -0.297 . . . . 10.0 111.214 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.0 tp -64.91 -36.48 84.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 10.0 111.144 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 1.9 tppp? -65.0 -33.65 76.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.175 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -75.07 -23.13 58.0 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.807 -0.633 . . . . 10.0 110.908 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.64 -43.69 20.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.04 0.448 . . . . 10.0 110.075 179.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -95.79 -143.66 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.61 118.19 7.0 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.959 -0.638 . . . . 10.0 111.713 179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 40.4 pt -89.52 -168.7 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.808 0.337 . . . . 10.0 111.46 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 87' ' ' LYS . 6.6 tt0 61.45 54.11 3.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.027 -0.988 . . . . 10.0 109.288 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.496 ' HB3' H5'' ' B' 1064 ' ' ' C' . 8.3 mmtp 79.35 153.65 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 114.544 -1.207 . . . . 10.0 110.757 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -76.84 -104.77 0.15 Allowed Glycine 0 CA--C 1.505 -0.576 0 C-N-CA 120.769 -0.729 . . . . 10.0 111.575 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.469 ' OG ' HG22 ' A' ' 97' ' ' VAL . 24.2 m -150.48 144.81 25.62 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 109.094 -0.706 . . . . 10.0 109.094 178.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.413 ' O ' ' N2 ' ' B' 1063 ' ' ' G' . 0.7 OUTLIER -63.61 -22.13 66.73 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.165 -0.471 . . . . 10.0 111.431 -179.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.519 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 0.5 OUTLIER -133.63 99.82 13.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 N-CA-C 109.697 -0.483 . . . . 10.0 109.697 178.827 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.475 ' HG3' ' H22' ' B' 1062 ' ' ' G' . 10.2 Cg_endo -50.56 -74.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 123.84 3.026 . . . . 10.0 115.74 -178.135 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.453 ' HD2' " O3'" ' B' 1077 ' ' ' A' . 25.3 tttp -79.06 1.76 22.98 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.199 0.444 . . . . 10.0 112.199 -177.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.519 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 26.4 ttp180 -101.78 -38.44 7.86 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.504 -0.478 . . . . 10.0 111.134 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -123.13 115.65 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.71 0.29 . . . . 10.0 110.228 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.4 pt -77.67 128.4 38.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.1 0.476 . . . . 10.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.469 HG22 ' OG ' ' A' ' 89' ' ' SER . 0.3 OUTLIER -86.79 -55.1 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.787 -0.642 . . . . 10.0 110.335 179.763 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -166.57 -177.34 38.4 Favored Glycine 0 N--CA 1.441 -1.002 0 CA-C-N 115.174 -0.921 . . . . 10.0 110.923 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -119.19 159.82 23.31 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.884 0.342 . . . . 10.0 110.256 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.442 HG22 ' H ' ' A' ' 101' ' ' THR . 9.8 p -126.86 169.3 18.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.442 ' H ' HG22 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -113.2 149.62 33.46 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.092 -0.336 . . . . 10.0 110.092 179.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -54.94 -33.91 62.73 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.789 0.328 . . . . 10.0 111.325 -179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 56.8 mtmt -67.7 -30.22 69.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.645 0.26 . . . . 10.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.448 ' O ' HG22 ' A' ' 108' ' ' ILE . 8.6 tp-100 -80.37 -37.29 32.61 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 108.747 -0.834 . . . . 10.0 108.747 179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 91.4 mt -61.49 -43.9 97.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 121.422 0.629 . . . . 10.0 109.802 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -69.21 -34.45 74.89 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.417 -0.81 . . . . 10.0 110.155 179.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.95 -47.75 76.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.712 -0.676 . . . . 10.0 111.677 -179.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.526 HG13 HD23 ' A' ' 78' ' ' LEU . 11.5 tt -68.79 -31.19 49.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.073 0.463 . . . . 10.0 110.286 -179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.52 -28.4 66.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.979 -0.555 . . . . 10.0 109.635 178.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 70.8 mttt -75.45 -38.81 59.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.545 -0.752 . . . . 10.0 111.11 178.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -39.34 71.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.989 0.424 . . . . 10.0 111.472 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.08 12.39 24.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.452 -0.34 . . . . 10.0 110.483 -179.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.516 ' HB3' ' HD3' ' A' ' 114' ' ' PRO . 53.6 ttm -62.44 -50.36 79.33 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 112.934 0.716 . . . . 10.0 112.934 -179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.516 ' HD3' ' HB3' ' A' ' 113' ' ' MET . 24.1 Cg_exo -65.28 -18.66 61.27 Favored 'Trans proline' 0 C--N 1.353 0.8 0 C-N-CA 121.742 1.628 . . . . 10.0 112.317 -179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -94.82 3.59 54.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.949 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.454 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 22.0 tp -115.23 162.34 17.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.32 -0.854 . . . . 10.0 110.495 -179.31 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.05 6.5 41.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.426 -0.352 . . . . 10.0 111.351 -179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -64.62 147.95 51.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.137 0.494 . . . . 10.0 111.929 -178.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -97.54 -47.28 5.71 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.305 -0.861 . . . . 10.0 110.543 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 p -103.49 165.5 11.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 10.0 111.029 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 62.5 tp -69.67 -35.81 75.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.791 -0.64 . . . . 10.0 110.6 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -63.96 -31.34 72.49 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.404 0.621 . . . . 10.0 110.119 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.402 ' HB1' H5'' ' B' 1081 ' ' ' U' . . . -70.78 -46.01 63.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 10.0 110.625 179.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -63.7 -31.93 73.26 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 121.388 0.613 . . . . 10.0 110.46 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 14.9 tmm? -65.09 -33.72 76.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.366 -0.834 . . . . 10.0 110.146 179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.05 -49.18 66.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.905 -0.588 . . . . 10.0 112.153 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.579 HG13 ' N ' ' A' ' 128' ' ' ILE . 0.8 OUTLIER -54.76 -41.66 57.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 112.47 0.545 . . . . 10.0 112.47 -178.357 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.579 ' N ' HG13 ' A' ' 127' ' ' ILE . 0.0 OUTLIER -73.16 -32.72 39.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.414 -0.514 . . . . 10.0 110.85 -179.42 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -35.02 78.23 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.597 -0.52 . . . . 10.0 109.597 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -64.5 -48.62 71.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.344 -0.844 . . . . 10.0 111.837 179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.487 ' O ' ' HG3' ' A' ' 135' ' ' MET . 2.2 m -66.77 -34.3 77.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 122.765 -0.256 . . . . 10.0 110.473 179.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -56.22 -58.31 8.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.349 -0.387 . . . . 10.0 111.021 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.04 -19.38 65.97 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 112.355 0.502 . . . . 10.0 112.355 -178.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 48.3 m -77.97 -21.76 50.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.839 0.352 . . . . 10.0 110.877 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.487 ' HG3' ' O ' ' A' ' 131' ' ' THR . 8.2 mtm -119.04 26.93 9.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.08 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.65 -115.2 4.69 Favored Glycine 0 N--CA 1.449 -0.482 0 N-CA-C 110.191 -1.163 . . . . 10.0 110.191 -178.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 18.9 mt 30.37 99.87 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 N-CA-C 114.82 1.415 . . . . 10.0 114.82 176.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -65.07 139.43 58.72 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.707 -0.679 . . . . 10.0 110.612 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.665 HG13 ' H ' ' A' ' 140' ' ' VAL . 2.5 p -58.81 -66.52 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-O 119.085 -0.484 . . . . 10.0 112.169 -179.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.665 ' H ' HG13 ' A' ' 139' ' ' VAL . 7.8 p 144.21 -43.24 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 124.59 1.156 . . . . 10.0 109.615 179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.247 0.935 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.377 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . 0.504 ' N3 ' " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.598 -1.359 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.511 " H2'" ' C6 ' ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . 0.511 ' C6 ' " H2'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.867 0 O4'-C4'-C3' 104.32 -0.843 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.41 ' C2 ' ' C8 ' ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.696 -2.003 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.41 ' C8 ' ' C2 ' ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.858 -0.842 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.684 0 O4'-C4'-C3' 102.875 -1.875 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 110.624 -0.923 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.897 0 C1'-C2'-O2' 108.13 -0.823 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 103.891 1.191 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.406 ' OP2' ' HA ' ' A' ' 74' ' ' PRO . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 N19-C1'-C2' 115.702 1.438 . 0.0 OUTLIER '7D dist 5p wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.507 ' OP1' ' HB3' ' A' ' 55' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 N19-C1'-C2' 115.357 1.223 . 0.489 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.475 ' H22' ' HG3' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.046 0 O4'-C1'-C2' 108.331 1.379 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.435 ' H8 ' " O5'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-O2' 111.152 -0.741 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.496 H5'' ' HB3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O4'--C4' 1.44 -1.064 0 O4'-C4'-C3' 102.236 -2.331 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C4'-C3'-C2' 104.231 1.531 . 0.017 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.612 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 C4'-C3'-C2' 103.94 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.415 H5'' " H2'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C1'-C2' 107.606 0.861 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 107.857 1.041 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.612 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 C3'-C2'-C1' 100.565 -1.039 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . 0.525 ' C6 ' HD11 ' A' ' 11' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.934 0 C3'-C2'-O2' 111.069 -0.769 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.558 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C4'-C3'-C2' 104.419 1.719 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.438 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C1'-C2'-O2' 108.569 -0.677 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.597 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.957 -0.808 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.597 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C3'-C2'-O2' 110.854 -0.843 . 0.029 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.504 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.526 0.804 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.792 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 C3'-C2'-O2' 110.649 -0.914 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.792 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C1'-C2' 107.714 0.938 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.505 ' H6 ' " O5'" ' B' 1078 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-O2' 110.638 -0.918 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.046 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.061 0 OP1-P-O3' 109.748 0.734 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . 0.892 " O4'" " H2'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 103.042 1.713 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.478 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 O4'-C4'-C3' 103.087 -1.723 . 0.061 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.603 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 107.698 0.927 . 0.407 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.603 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 O4'-C1'-C2' 108.098 1.213 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . 0.458 ' H2 ' " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 108.206 1.29 . 0.06 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.069 0 O4'-C1'-C2' 108.068 1.191 . 0.015 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.507 ' N3 ' H5'' ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.421 -1.167 0 O4'-C1'-C2' 107.65 0.893 . 0.217 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 O4'-C1'-C2' 108.499 1.499 . 0.086 7a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.046 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.4 -1.166 0 C4'-C3'-C2' 105.545 2.845 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C1'-C2' 108.165 1.261 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.792 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.012 0 C3'-C2'-O2' 110.863 -0.84 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.792 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 C3'-C2'-C1' 100.694 -0.896 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.488 " H2'" " O4'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C4'-C3' 104.261 -0.885 . 0.746 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.488 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 108.143 1.245 . 0.696 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.859 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 O4'-C1'-C2' 108.569 1.549 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.878 ' C6 ' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C1'-C2' 107.938 1.098 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.673 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C3'-C2'-C1' 100.426 -1.194 . 0.01 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.859 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.962 0 C3'-C2'-O2' 111.004 -0.792 . 0.485 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.64 " H5'" " O2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C4'-C3'-C2' 103.767 1.067 . 0.448 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.547 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.053 0 O4'-C4'-C3' 103.545 -1.396 . 0.175 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.436 " H2'" ' C6 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 104.093 -1.005 . 0.935 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.782 " H2'" " O4'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 100.528 -1.08 . 0.033 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.782 " O4'" " H2'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 O4'-C1'-C2' 107.71 0.936 . 0.134 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.505 ' H8 ' " O5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-O2' 111.172 -0.734 . 0.063 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-C1' 100.673 -0.919 . 0.344 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.582 ' H6 ' " O5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 C3'-C2'-C1' 100.268 -1.368 . 0.587 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.51 " H5'" " O2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 103.085 -1.725 . 0.685 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.595 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 102.208 -2.351 . 0.127 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.595 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C4'-C3' 103.815 -1.204 . 0.247 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.469 ' O15' ' CB ' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.445 HD12 ' O ' ' C' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.488 1.44 0 CA-C-O 121.009 0.433 . . . . 10.0 110.984 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . 57.57 27.15 13.71 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.991 -0.55 . . . . 10.0 111.228 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.418 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -132.78 123.85 26.95 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 119.458 1.026 . . . . 10.0 111.002 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.04 86.67 0.1 Allowed 'General case' 0 CA--C 1.448 -2.954 0 CA-C-N 116.243 -0.435 . . . . 10.0 111.679 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.825 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.878 HG22 ' C6 ' ' B' 1095 ' ' ' A' . 1.3 p -129.88 166.23 20.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 112.634 -2.075 . . . . 10.0 111.938 -178.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.669 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 65.7 p -118.23 -176.6 3.1 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 112.968 -1.924 . . . . 10.0 109.847 178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.825 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 119.63 1.104 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 . . . . . 0 N--CA 1.48 1.07 0 N-CA-C 109.85 -0.426 . . . . 10.0 109.85 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.4 141.2 46.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.991 0.424 . . . . 10.0 110.999 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -132.42 150.9 52.07 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.281 -0.637 . . . . 10.0 109.281 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -170.64 178.86 3.46 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.081 0.238 . . . . 10.0 110.736 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -120.2 129.7 54.22 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.453 -0.573 . . . . 10.0 109.453 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 39.7 mt -132.82 150.74 76.53 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 116.376 -0.374 . . . . 10.0 110.679 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.46 ' HA ' HD13 ' A' ' 53' ' ' ILE . 8.0 Cg_exo -71.33 122.07 8.34 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.405 2.07 . . . . 10.0 111.647 179.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.68 110.95 2.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.719 -0.673 . . . . 10.0 111.172 -179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 121.8 -22.95 7.56 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.73 -0.748 . . . . 10.0 113.028 178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' HB2' ' A' ' 14' ' ' PRO . 15.5 ptpt -131.92 112.47 12.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.458 0.647 . . . . 10.0 112.394 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.565 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -149.84 115.75 5.64 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.337 -0.847 . . . . 10.0 109.317 178.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.591 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 10.2 t 174.59 -29.83 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.774 0 N-CA-C 113.48 0.919 . . . . 10.0 113.48 -179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.591 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.0 Cg_exo -50.06 122.46 9.22 Favored 'Trans proline' 0 C--N 1.371 1.76 0 C-N-CA 121.561 1.507 . . . . 10.0 112.584 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.03 -45.96 98.03 Favored Pre-proline 0 CA--C 1.538 0.511 0 N-CA-C 113.905 1.076 . . . . 10.0 113.905 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.482 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 50.3 Cg_exo -50.16 -53.69 6.68 Favored 'Trans proline' 0 CA--C 1.549 1.272 0 C-N-CA 122.003 1.802 . . . . 10.0 115.511 -178.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.482 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 67.9 Cg_endo -77.23 -68.41 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 N-CA-C 116.017 1.506 . . . . 10.0 116.017 -177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.7 p -78.83 -17.68 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 113.497 0.925 . . . . 10.0 113.497 -176.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.64 -72.41 0.57 Allowed Glycine 0 CA--C 1.527 0.834 0 C-N-CA 121.122 -0.561 . . . . 10.0 114.185 -178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.459 ' HB2' ' C2 ' ' B' 1096 ' ' ' A' . 30.5 Cg_endo -63.84 -48.2 5.72 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.836 2.357 . . . . 10.0 113.79 -178.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.98 -50.62 10.53 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 112.852 0.686 . . . . 10.0 112.852 -178.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 HD23 HG11 ' A' ' 33' ' ' VAL . 6.0 mp -90.36 -27.91 19.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.813 0.339 . . . . 10.0 111.21 -179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.24 -34.97 91.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 121.034 -0.603 . . . . 10.0 113.05 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -15.35 63.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.957 0.408 . . . . 10.0 110.89 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -96.86 5.2 51.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.182 -0.463 . . . . 10.0 110.46 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.59 21.29 72.59 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 121.088 -0.577 . . . . 10.0 112.632 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG11 HD23 ' A' ' 28' ' ' LEU . 64.4 t -84.2 135.06 25.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.015 0.436 . . . . 10.0 112.109 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.535 ' OD1' ' HG2' ' A' ' 36' ' ' MET . 28.7 t-20 -79.39 96.13 5.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 10.0 109.143 178.275 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 36.6 mt -51.65 -50.92 29.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 113.775 1.028 . . . . 10.0 113.775 -177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.535 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 26.5 ptt? -61.12 -29.68 69.91 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.769 0.655 . . . . 10.0 112.769 -177.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.39 -34.3 28.39 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.179 -0.608 . . . . 10.0 110.063 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -66.48 -47.92 71.51 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.665 -0.698 . . . . 10.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.565 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 29.0 p -60.71 -45.18 95.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.592 -178.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmp? -59.62 -48.54 81.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.567 -0.288 . . . . 10.0 111.028 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.613 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -65.83 -48.13 72.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.401 -0.363 . . . . 10.0 111.128 -179.27 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -59.02 -45.37 90.87 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.875 0.324 . . . . 10.0 111.875 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -69.18 -22.36 63.91 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 111.923 0.342 . . . . 10.0 111.923 -179.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -81.63 -49.9 9.97 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 111.805 0.298 . . . . 10.0 111.805 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.613 ' HG2' ' O ' ' A' ' 41' ' ' ARG . 3.6 mm-40 -66.55 -52.74 42.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.179 0.514 . . . . 10.0 110.929 -179.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -80.27 26.41 0.36 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.902 1.075 . . . . 10.0 113.902 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.1 -23.19 51.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.372 0.606 . . . . 10.0 109.578 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -61.43 -33.38 73.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.844 -1.071 . . . . 10.0 111.73 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 11.5 mtpp -117.04 40.07 3.08 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 116.709 -0.223 . . . . 10.0 111.588 -178.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.11 131.29 40.68 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 112.213 0.449 . . . . 10.0 112.213 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 97.18 6.43 57.77 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 121.039 -0.601 . . . . 10.0 113.076 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.4 ttm -115.05 150.28 36.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.702 0.287 . . . . 10.0 110.9 -179.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 14' ' ' PRO . 28.9 mm -102.0 116.82 46.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 109.184 -0.673 . . . . 10.0 109.184 178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -132.4 162.55 56.37 Favored Pre-proline 0 C--N 1.324 -0.519 0 C-N-CA 121.156 -0.218 . . . . 10.0 111.249 -179.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -84.19 144.72 10.68 Favored 'Trans proline' 0 N--CA 1.457 -0.656 0 C-N-CA 123.192 2.594 . . . . 10.0 111.883 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -126.37 121.35 58.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.084 -0.507 . . . . 10.0 110.271 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 47.1 t -97.86 105.41 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 179.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -106.44 116.02 49.28 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 CA-C-O 121.227 0.537 . . . . 10.0 111.618 -178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.5 m -103.23 113.36 26.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.964 -0.562 . . . . 10.0 109.905 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -102.95 142.54 16.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.827 -0.624 . . . . 10.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -117.36 -165.95 1.13 Allowed 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.516 -0.474 . . . . 10.0 111.29 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -62.3 -47.34 84.71 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.163 0.506 . . . . 10.0 110.016 179.351 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -66.22 145.64 55.55 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.291 -1.003 . . . . 10.0 108.291 177.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.23 46.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.462 0.648 . . . . 10.0 112.1 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 m -126.89 166.83 16.75 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.91 -1.145 . . . . 10.0 107.91 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -152.23 176.36 11.67 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.355 0.598 . . . . 10.0 111.729 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 3.9 m -152.45 135.44 15.62 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.091 -0.959 . . . . 10.0 108.507 179.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.526 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 52.0 p90 -129.23 146.11 51.21 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.435 0.636 . . . . 10.0 111.276 -179.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 7.1 mt -122.47 129.77 75.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.318 -0.855 . . . . 10.0 109.835 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 6.9 pt -97.53 155.58 3.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 N-CA-C 109.406 -0.59 . . . . 10.0 109.406 179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.2 pttt -147.18 177.07 9.48 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 121.083 -0.247 . . . . 10.0 110.469 -179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -52.04 131.87 40.3 Favored Pre-proline 0 N--CA 1.452 -0.341 0 O-C-N 123.647 0.592 . . . . 10.0 111.263 179.418 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 72' ' ' THR . 50.7 Cg_exo -54.44 148.55 42.26 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.775 2.317 . . . . 10.0 112.054 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.581 ' HA ' ' P ' ' B' 1060 ' ' ' U' . 9.6 Cg_endo -50.78 140.74 37.19 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 123.262 2.641 . . . . 10.0 112.891 -179.284 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.57 -31.77 62.46 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.928 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.634 ' HB3' ' SD ' ' A' ' 135' ' ' MET . 0.0 OUTLIER -53.78 -47.5 70.69 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.993 -1.003 . . . . 10.0 111.471 178.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -74.82 -36.54 62.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.194 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -60.8 -46.02 92.12 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.013 0.435 . . . . 10.0 110.056 179.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 45.2 mt -63.17 -31.56 72.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.654 -0.703 . . . . 10.0 111.054 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 76' ' ' SER . 52.0 mttm -70.03 -36.92 75.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.288 -0.415 . . . . 10.0 111.101 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -80.08 -21.5 43.3 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 120.729 -0.388 . . . . 10.0 110.412 -179.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.25 -43.5 21.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.262 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -73.59 -16.21 61.25 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.864 -0.607 . . . . 10.0 110.755 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 84.33 38.77 9.61 Favored Glycine 0 C--N 1.329 0.194 0 C-N-CA 121.107 -0.568 . . . . 10.0 113.485 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 46.8 pt -122.44 160.55 24.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.866 0.365 . . . . 10.0 110.389 179.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -106.92 -29.44 9.47 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.052 -0.522 . . . . 10.0 110.149 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -138.06 149.69 46.23 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.674 -0.694 . . . . 10.0 109.42 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -83.13 -177.14 51.83 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.478 -0.868 . . . . 10.0 111.561 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.43 ' OG ' ' HA3' ' A' ' 136' ' ' GLY . 1.6 p -82.85 143.22 30.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.619 -0.512 . . . . 10.0 109.619 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 14.3 m -65.04 -24.52 67.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.557 0.694 . . . . 10.0 109.424 178.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -128.72 124.2 22.48 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 108.585 -0.894 . . . . 10.0 108.585 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -59.89 -70.49 0.04 OUTLIER 'Trans proline' 0 CA--C 1.537 0.648 0 C-N-CA 123.484 2.789 . . . . 10.0 115.782 -177.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -87.28 14.92 6.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.37 0.605 . . . . 10.0 110.962 -178.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -124.52 93.34 3.88 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 108.005 -1.109 . . . . 10.0 108.005 179.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.485 ' HB2' ' O ' ' A' ' 94' ' ' ARG . 52.0 mtpt 89.37 103.69 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.264 1.026 . . . . 10.0 112.053 -179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.414 HG22 ' H ' ' A' ' 96' ' ' ILE . 0.3 OUTLIER -81.14 138.07 20.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 115.285 -0.871 . . . . 10.0 110.313 178.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.7 t -99.13 -57.16 4.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.955 0.407 . . . . 10.0 110.68 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -134.4 177.28 19.31 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.62 -0.8 . . . . 10.0 112.475 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -136.13 150.47 49.09 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.089 0.471 . . . . 10.0 110.831 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.475 HG13 ' HB3' ' A' ' 104' ' ' GLN . 77.6 t -127.54 144.9 35.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.343 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.548 ' HA ' ' O ' ' A' ' 140' ' ' VAL . 10.1 t -99.58 163.11 12.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.787 0.327 . . . . 10.0 111.291 -178.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.541 ' O ' ' HG3' ' A' ' 106' ' ' GLU . 18.9 tpp180 -48.24 -54.05 14.95 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 123.515 0.726 . . . . 10.0 112.61 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.467 ' HE3' ' OE1' ' A' ' 106' ' ' GLU . 8.1 mmtp -60.64 -24.21 65.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.316 0.487 . . . . 10.0 112.316 -178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.475 ' HB3' HG13 ' A' ' 100' ' ' VAL . 17.3 tt0 -80.1 -44.23 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.957 -0.297 . . . . 10.0 110.766 -179.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.3 pt -66.49 -34.37 69.68 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.161 0 C-N-CA 120.505 -0.478 . . . . 10.0 110.843 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 102' ' ' ARG . 43.4 mt-10 -67.77 -37.96 82.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.265 0.555 . . . . 10.0 109.65 178.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.15 -44.43 84.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.48 -179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.2 tt -72.01 -31.67 41.14 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.992 -0.373 . . . . 10.0 109.992 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.96 92.88 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.156 179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 31.4 mtpt -65.75 -37.67 86.99 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.863 -0.608 . . . . 10.0 110.37 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 9.3 m -66.81 -35.64 80.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.717 -0.674 . . . . 10.0 111.941 -179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -103.97 9.3 36.67 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -178.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 14.8 tpt -56.11 -48.98 95.71 Favored Pre-proline 0 CA--C 1.541 0.631 0 N-CA-C 112.389 0.514 . . . . 10.0 112.389 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 21.2 Cg_endo -60.28 -13.84 26.44 Favored 'Trans proline' 0 C--N 1.358 1.033 0 C-N-CA 122.573 2.182 . . . . 10.0 114.515 -179.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -116.87 6.84 13.16 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.157 -0.617 . . . . 10.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.8 mt -95.1 155.78 16.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.547 . . . . 10.0 109.625 178.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -91.06 1.17 57.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.101 0.477 . . . . 10.0 110.825 -179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.443 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -78.14 148.88 33.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.315 -179.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -105.76 -40.03 5.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.451 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.4 m -96.5 152.27 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.204 -0.453 . . . . 10.0 110.561 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.6 pp -64.49 -33.55 76.16 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.683 0.278 . . . . 10.0 111.102 -179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.63 -34.34 78.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.092 0.472 . . . . 10.0 110.225 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.58 ' O ' ' HG2' ' A' ' 126' ' ' LYS . . . -75.47 -35.31 60.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.784 -0.644 . . . . 10.0 110.931 -179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.68 76.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.376 0.608 . . . . 10.0 110.5 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 21.2 ttm -65.57 -41.85 92.44 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.311 -0.859 . . . . 10.0 110.99 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.58 ' HG2' ' O ' ' A' ' 123' ' ' ALA . 20.4 ptmt -64.74 -33.7 76.58 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.582 -0.281 . . . . 10.0 111.428 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 34.2 mt -58.88 -43.84 89.32 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 CA-C-O 121.014 0.435 . . . . 10.0 110.383 178.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.3 mm -64.3 -44.62 97.33 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 116.296 -0.411 . . . . 10.0 110.553 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -59.35 -41.7 89.84 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.126 -0.488 . . . . 10.0 111.332 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -60.16 -42.96 98.8 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.979 -0.629 . . . . 10.0 111.804 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 7.6 m -67.02 -41.99 85.68 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.068 0.461 . . . . 10.0 110.457 179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.56 -54.04 51.38 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.597 -0.729 . . . . 10.0 111.93 -179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.47 -19.98 66.16 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.803 0.297 . . . . 10.0 111.803 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 20.2 m -89.45 -7.15 55.69 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 121.006 -0.278 . . . . 10.0 111.28 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.634 ' SD ' ' HB3' ' A' ' 76' ' ' SER . 6.5 mtt -120.18 17.71 12.35 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.37 0.507 . . . . 10.0 112.37 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.43 ' HA3' ' OG ' ' A' ' 89' ' ' SER . . . 78.28 31.73 45.76 Favored Glycine 0 C--O 1.237 0.31 0 C-N-CA 120.681 -0.771 . . . . 10.0 113.55 178.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 46.6 mm -118.8 116.58 51.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.808 -0.812 . . . . 10.0 108.808 179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.66 133.48 34.4 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.874 0.368 . . . . 10.0 110.951 -178.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 2.4 p -93.56 121.78 44.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.122 -0.49 . . . . 10.0 109.836 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.548 ' O ' ' HA ' ' A' ' 101' ' ' THR . 19.0 m -120.91 152.41 24.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.459 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.506 -0.759 . . . . 10.0 110.278 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-O2' 110.984 -0.798 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.765 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.893 0 C3'-C2'-O2' 111.194 -0.726 . 0.598 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.84 0 O4'-C1'-C2' 107.857 1.041 . 0.551 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.422 " H5'" " O2'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.541 -1.399 . 0.551 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 107.785 0.99 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . 0.476 ' N2 ' ' N4 ' ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.711 0 O4'-C1'-C2' 108.447 1.462 . 0.349 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-O2' 110.743 -0.882 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 C3'-C2'-O2' 110.928 -0.818 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.631 0.879 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.723 " O2'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 N19-C1'-C2' 115.964 1.602 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.723 " H3'" " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C3'-C2'-C1' 100.017 -1.648 . 0.01 4p . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.554 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 N19-C1'-C2' 115.106 1.066 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.554 ' C8 ' " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C4'-C3'-C2' 103.754 1.054 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.425 " H2'" ' C6 ' ' B' 1065 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.441 -1.037 0 O4'-C4'-C3' 102.169 -2.379 . 0.328 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . 0.425 ' C6 ' " H2'" ' B' 1064 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C4'-C3'-C2' 104.08 1.38 . 0.196 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.418 ' C2 ' H5'' ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 O4'-C1'-C2' 107.677 0.912 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.655 " H2'" " O4'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 C3'-C2'-O2' 110.734 -0.885 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . 0.655 " O4'" " H2'" ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.067 0 O4'-C1'-C2' 107.952 1.109 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.66 " O3'" ' H8 ' ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C4'-C3' 104.076 -1.017 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . 0.66 ' H8 ' " O3'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.43 -0.619 0 O4'-C1'-C2' 107.988 1.134 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.97 " O5'" ' H5 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O4'--C4' 1.442 -0.909 0 O4'-C4'-C3' 102.677 -2.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.97 ' H5 ' " O5'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C1'-C2' 107.708 0.934 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.43 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 C3'-C2'-O2' 110.2 -1.069 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.43 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.963 -1.098 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.43 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-O2' 110.704 -0.895 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.758 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 O4'-C4'-C3' 103.725 -1.268 . 0.12 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.758 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.42 1.443 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.422 1.444 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.043 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.023 0 C4'-C3'-C2' 104.293 1.593 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.071 0 O4'-C1'-C2' 107.7 0.929 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.443 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.423 -1.034 0 O4'-C1'-C2' 108.26 1.329 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.605 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 107.594 0.853 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.605 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.532 -0.954 . 0.587 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C1'-C2' 108.046 1.176 . 0.495 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . 0.6 ' N7 ' " H2'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C1'-C2'-O2' 108.589 -0.67 . 0.611 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.55 HO2' ' H2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 O4'-C1'-C2' 108.441 1.458 . 0.21 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C1'-C2' 108.799 1.713 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.043 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C3'-C2'-O2' 110.846 -0.846 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.713 " O2'" ' H5 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.228 -1.059 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.759 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 O4'-C1'-C2' 107.92 1.086 . 0.01 2g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.759 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C3'-C2'-C1' 99.947 -1.725 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.452 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 C3'-C2'-C1' 100.703 -0.886 . 0.476 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.48 ' H8 ' " O5'" ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.058 1.184 . 0.055 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.844 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.717 0 C4'-C3'-C2' 103.968 1.268 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.621 ' C5 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 110.263 -1.047 . 0.178 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.461 ' N7 ' ' C5 ' ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.043 -1.619 . 0.061 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.844 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 103.537 0.837 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.083 0 C4'-C3'-C2' 103.833 1.133 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C3'-C2'-C1' 100.114 -1.54 . 0.102 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 C3'-C2'-O2' 110.582 -0.937 . 0.773 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.485 ' H6 ' " O5'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.943 0 C3'-C2'-C1' 100.769 -0.812 . 0.547 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-O2' 111.207 -0.722 . 0.106 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.579 ' H8 ' " O5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 111.192 -0.727 . 0.18 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.624 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-C1' 100.333 -1.296 . 0.568 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.442 " H2'" ' C8 ' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 100.783 -0.797 . 0.157 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.442 ' C8 ' " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.566 -0.943 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.402 " O5'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 O4'-C4'-C3' 103.205 -1.64 . 0.095 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.461 ' H6 ' " O5'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 107.636 0.883 . 0.199 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.452 ' O16' HD13 ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.573 ' N ' HD13 ' C' ' 1' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.632 0 CA-C-O 120.767 0.318 . . . . 10.0 111.168 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.77 100.15 2.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.099 -0.5 . . . . 10.0 110.628 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.48 123.87 41.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 119.326 0.966 . . . . 10.0 110.25 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.752 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 68.28 86.9 0.13 Allowed 'General case' 0 CA--C 1.446 -3.039 0 C-N-CA 120.001 -0.68 . . . . 10.0 110.775 -177.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.514 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.885 HG22 ' H ' ' C' ' 9' ' ' DCY . 55.3 m -144.85 145.75 31.75 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 111.956 -2.383 . . . . 10.0 111.411 -178.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.885 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.671 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 43.8 p -117.02 -172.49 2.22 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 113.349 -1.75 . . . . 10.0 110.45 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.752 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 119.667 1.121 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.962 -0.384 . . . . 10.0 109.962 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.4 pt -132.41 151.91 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 121.115 0.483 . . . . 10.0 111.563 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -127.38 157.15 40.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.65 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 151.75 28.82 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.948 0.404 . . . . 10.0 110.208 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -104.35 108.45 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.141 -0.482 . . . . 10.0 109.969 179.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 46.0 mt -121.94 141.33 33.86 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.551 -179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.488 ' HG2' ' HB3' ' A' ' 17' ' ' LYS . 63.1 Cg_endo -74.83 147.42 34.69 Favored 'Trans proline' 0 N--CA 1.46 -0.45 0 C-N-CA 122.753 2.302 . . . . 10.0 112.075 179.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.79 107.54 3.08 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.152 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.525 ' O ' ' HB2' ' A' ' 17' ' ' LYS . . . 88.83 65.73 1.28 Allowed Glycine 0 N--CA 1.448 -0.543 0 CA-C-N 115.754 -0.657 . . . . 10.0 111.916 179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.525 ' HB2' ' O ' ' A' ' 16' ' ' GLY . 77.3 tttt 166.58 78.7 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.05 0.54 . . . . 10.0 110.82 -179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.752 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -142.63 94.19 2.61 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.228 -0.442 . . . . 10.0 110.053 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.553 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 2.6 m -159.91 -49.9 0.01 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.339 -0.391 . . . . 10.0 111.737 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.553 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.7 Cg_exo -49.69 139.36 31.48 Favored 'Trans proline' 0 C--N 1.362 1.282 0 C-N-CA 122.22 1.946 . . . . 10.0 112.957 -179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.52 -46.6 77.47 Favored Pre-proline 0 CA--C 1.54 0.584 0 N-CA-C 113.935 1.087 . . . . 10.0 113.935 -179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.438 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 76.6 Cg_exo -48.95 -54.13 5.91 Favored 'Trans proline' 0 CA--C 1.549 1.235 0 C-N-CA 122.232 1.955 . . . . 10.0 115.258 -178.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.438 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 55.4 Cg_endo -69.22 -37.32 10.64 Favored 'Trans proline' 0 C--N 1.359 1.101 0 C-N-CA 121.555 1.504 . . . . 10.0 113.656 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.818 HG13 ' H ' ' A' ' 25' ' ' GLY . 2.3 p -122.76 -84.72 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.449 -0.5 . . . . 10.0 111.337 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.818 ' H ' HG13 ' A' ' 24' ' ' VAL . . . 24.72 -106.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 N-CA-C 115.762 1.065 . . . . 10.0 115.762 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 71.8 Cg_exo -52.33 -40.02 71.48 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 124.083 3.189 . . . . 10.0 114.909 -179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.88 20.2 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 112.283 0.475 . . . . 10.0 112.283 -178.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.2 mt -92.36 -22.26 19.79 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.002 0.43 . . . . 10.0 110.007 179.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.407 ' O ' H141 ' C' ' 0' ' ' QUA . . . -64.16 -39.79 97.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.958 -0.639 . . . . 10.0 112.119 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -72.91 4.1 4.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.88 0.371 . . . . 10.0 111.541 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -118.74 14.16 13.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.068 0.461 . . . . 10.0 110.111 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 72.97 21.0 80.17 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 115.392 -0.822 . . . . 10.0 114.022 178.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 47.2 t -87.01 140.9 15.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.224 0.512 . . . . 10.0 111.416 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -81.42 96.14 7.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 10.0 110.031 178.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.449 HG13 ' SD ' ' A' ' 36' ' ' MET . 6.8 pt -58.26 -44.26 87.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.305 0.483 . . . . 10.0 112.305 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.449 ' SD ' HG13 ' A' ' 35' ' ' ILE . 3.4 mpp? -60.1 -46.68 88.79 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 121.062 0.458 . . . . 10.0 111.127 -179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -66.6 -44.32 82.43 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.85 -0.613 . . . . 10.0 111.2 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -64.97 -41.01 95.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.789 -179.396 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.752 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 1.6 p -60.28 -34.79 74.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.412 -0.358 . . . . 10.0 111.795 -178.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -80.37 -42.95 21.93 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.722 0.296 . . . . 10.0 111.118 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -67.03 -47.21 72.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 10.0 111.795 -178.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 46.7 t80 -60.27 -47.7 84.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.871 0.367 . . . . 10.0 110.724 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.482 ' OD1' ' HA2' ' A' ' 16' ' ' GLY . 4.3 t30 -60.83 -26.79 67.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.686 -0.688 . . . . 10.0 111.999 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.03 -39.47 29.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.873 0.368 . . . . 10.0 111.623 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -78.83 -34.81 44.9 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.545 -178.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -79.82 -3.24 46.94 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.455 0.539 . . . . 10.0 112.455 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.24 -25.01 67.58 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 111.962 0.356 . . . . 10.0 111.962 -179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -68.98 -24.91 64.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.408 -0.36 . . . . 10.0 111.846 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -121.92 28.61 7.49 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.434 -179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.19 121.86 8.34 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.953 -0.567 . . . . 10.0 111.21 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 124.27 -22.07 6.73 Favored Glycine 0 N--CA 1.448 -0.55 0 N-CA-C 111.277 -0.729 . . . . 10.0 111.277 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 61.4 mtt -110.32 -179.38 3.76 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 110.074 -0.343 . . . . 10.0 110.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.432 ' O ' ' HA ' ' A' ' 73' ' ' PRO . 4.6 mp -117.85 129.47 74.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 108.28 -1.007 . . . . 10.0 108.28 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.7 mp -132.42 116.81 15.31 Favored Pre-proline 0 C--N 1.32 -0.698 0 C-N-CA 120.667 -0.413 . . . . 10.0 111.23 -178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -60.85 138.22 77.71 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.902 2.402 . . . . 10.0 112.144 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 1.3 m -119.41 135.61 59.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.979 -0.555 . . . . 10.0 110.897 -179.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.54 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 60.3 t -104.47 110.06 29.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.744 -0.835 . . . . 10.0 108.744 178.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.02 123.47 57.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.105 0.478 . . . . 10.0 111.936 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 12.2 p -92.16 123.15 35.3 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.644 -0.707 . . . . 10.0 109.285 178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 30.1 m -91.87 157.64 2.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.316 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.459 ' HB2' ' O ' ' A' ' 64' ' ' LYS . 67.0 m-85 -138.23 156.93 47.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.693 -0.484 . . . . 10.0 109.693 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -68.29 -33.92 75.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 10.0 110.684 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.34 37.03 0.76 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.104 -0.498 . . . . 10.0 109.937 179.101 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.459 ' O ' ' HB2' ' A' ' 61' ' ' TYR . 42.3 mtpt 57.39 -147.82 0.51 Allowed 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 108.256 -1.016 . . . . 10.0 108.256 -177.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.8 m 63.52 175.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 110.329 -0.248 . . . . 10.0 110.329 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -169.01 173.72 6.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.249 0.547 . . . . 10.0 111.363 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 6.6 m -148.65 141.57 24.76 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.504 -1.295 . . . . 10.0 107.504 178.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.54 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 27.8 p90 -145.53 154.7 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 119.412 -0.915 . . . . 10.0 112.654 -178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.3 pt -123.8 163.38 23.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 114.676 -1.147 . . . . 10.0 109.024 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 21.3 tt -113.22 140.18 34.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.848 0.356 . . . . 10.0 111.138 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.467 ' HE2' ' OD2' ' A' ' 115' ' ' ASP . 14.3 mmmm -104.34 -162.58 0.9 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.918 179.787 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 27.1 p -101.95 155.75 36.05 Favored Pre-proline 0 C--N 1.329 -0.321 0 N-CA-C 110.313 -0.254 . . . . 10.0 110.313 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.432 ' HA ' ' O ' ' A' ' 53' ' ' ILE . 11.7 Cg_endo -54.93 130.54 41.2 Favored 'Trans proline' 0 C--N 1.348 0.511 0 C-N-CA 123.035 2.49 . . . . 10.0 112.288 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 54.0 Cg_exo -54.86 142.45 74.84 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 123.118 2.546 . . . . 10.0 113.508 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.32 -39.91 80.67 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.291 -0.868 . . . . 10.0 110.98 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.6 t -53.32 -45.6 69.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.701 -0.681 . . . . 10.0 111.128 179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -71.21 -34.86 71.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.609 -0.268 . . . . 10.0 111.275 -179.127 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 44.8 mt -67.57 -44.01 79.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.032 0.444 . . . . 10.0 109.889 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.55 -32.01 73.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.845 179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.502 ' HG3' ' HA ' ' A' ' 85' ' ' ILE . 1.7 tppt? -66.6 -28.82 68.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.158 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -80.71 -20.82 42.0 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.364 -0.38 . . . . 10.0 110.55 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.46 -45.5 11.77 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.625 0.602 . . . . 10.0 112.625 -178.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -115.76 63.34 0.7 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 113.537 0.939 . . . . 10.0 113.537 -178.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.35 120.97 0.08 OUTLIER Glycine 0 N--CA 1.453 -0.169 0 C-N-CA 121.103 -0.57 . . . . 10.0 113.325 178.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.502 ' HA ' ' HG3' ' A' ' 80' ' ' LYS . 33.2 mt -86.72 -95.47 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.69 -0.404 . . . . 10.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 48.62 -100.74 0.07 Allowed 'General case' 0 CA--C 1.536 0.409 0 O-C-N 123.631 0.582 . . . . 10.0 111.018 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 26.6 mmtp -110.27 -86.73 0.53 Allowed 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.21 -0.45 . . . . 10.0 110.422 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 146.2 24.41 0.1 Allowed Glycine 0 CA--C 1.523 0.592 0 C-N-CA 120.317 -0.944 . . . . 10.0 114.025 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.453 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 69.4 m 70.25 112.46 0.05 Allowed 'General case' 0 N--CA 1.475 0.792 0 CA-C-N 117.216 0.508 . . . . 10.0 111.782 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -30.92 69.28 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.808 -0.633 . . . . 10.0 110.79 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.42 ' HB2' ' HB3' ' A' ' 94' ' ' ARG . 2.1 mp0 -121.06 111.77 33.76 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.747 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.8 Cg_exo -44.09 -79.81 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 124.573 3.515 . . . . 10.0 116.171 -178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.479 ' HB2' H5'' ' B' 1077 ' ' ' A' . 52.2 mtpt -92.9 28.18 2.17 Favored 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 112.448 0.536 . . . . 10.0 112.448 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.42 ' HB3' ' HB2' ' A' ' 91' ' ' GLU . 27.7 ttm180 -114.27 -37.85 4.27 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.501 -0.48 . . . . 10.0 110.204 178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 27.3 mmtp -95.16 -134.95 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.391 -0.368 . . . . 10.0 110.81 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 tp 173.43 94.19 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-O 121.461 0.648 . . . . 10.0 109.797 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.453 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 8.5 p -81.91 -33.98 12.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.354 -0.385 . . . . 10.0 111.281 -179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -178.07 -177.66 46.98 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.682 -0.77 . . . . 10.0 112.052 -179.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 38.6 tttt -136.12 145.86 46.32 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.5 m -124.0 163.84 23.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.317 -0.401 . . . . 10.0 110.95 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 104' ' ' GLN . 2.7 p -99.24 156.42 16.99 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.28 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -60.79 -39.89 90.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.825 0.345 . . . . 10.0 110.667 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 16.6 ptmt -66.55 -30.3 70.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.7 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.529 ' HB2' ' OG1' ' A' ' 101' ' ' THR . 0.0 OUTLIER -73.13 -37.51 66.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.105 -0.498 . . . . 10.0 110.095 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 1.1 tp -64.72 -34.66 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.194 -0.457 . . . . 10.0 110.326 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.42 ' OE1' ' HA ' ' A' ' 103' ' ' LYS . 47.4 mt-10 -68.14 -31.75 71.54 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.285 179.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 47.2 mm-40 -59.34 -45.68 90.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.134 179.182 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 2.5 mp -74.29 -37.8 46.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.151 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -56.95 -45.15 83.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 10.0 111.365 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -74.62 -21.47 59.44 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.375 -0.375 . . . . 10.0 111.094 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 80.3 m -71.58 -44.42 64.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.324 . . . . 10.0 110.89 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.425 ' HD2' ' O ' ' A' ' 73' ' ' PRO . 5.2 mtpp -96.08 22.05 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.72 0.295 . . . . 10.0 111.379 -179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.517 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 11.4 tmm? -55.07 -49.66 90.94 Favored Pre-proline 0 CA--C 1.54 0.574 0 CA-C-N 116.162 -0.472 . . . . 10.0 111.995 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 113' ' ' MET . 36.8 Cg_endo -65.8 -0.6 4.01 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.299 1.999 . . . . 10.0 113.393 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.467 ' OD2' ' HE2' ' A' ' 71' ' ' LYS . 0.3 OUTLIER -116.4 0.69 12.85 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.006 0.431 . . . . 10.0 110.063 179.595 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.87 161.76 14.41 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.22 -178.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -102.53 -8.28 21.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.715 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' HA ' " O3'" ' B' 1081 ' ' ' U' . . . -56.87 138.25 53.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.18 -0.918 . . . . 10.0 111.706 -179.094 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.53 -32.36 13.51 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.421 0.629 . . . . 10.0 109.951 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 p -113.69 155.39 25.65 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.592 -0.731 . . . . 10.0 110.296 179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -32.1 73.41 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.968 -0.382 . . . . 10.0 109.968 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -62.07 -34.44 76.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 10.0 110.42 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.53 62.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.108 0.48 . . . . 10.0 109.913 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -66.71 -30.64 70.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.416 0.627 . . . . 10.0 110.09 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 33.5 ttm -64.64 -41.35 96.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.271 -0.877 . . . . 10.0 110.042 179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -69.49 -38.89 77.84 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.762 -0.654 . . . . 10.0 111.328 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.473 HG13 " H1'" ' B' 1080 ' ' ' A' . 1.6 tt -57.33 -32.21 40.38 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 CA-C-O 121.108 0.48 . . . . 10.0 110.55 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 40.5 mm -80.74 -36.35 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-O 121.189 0.519 . . . . 10.0 109.688 178.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -58.82 -42.14 88.49 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.208 -0.906 . . . . 10.0 110.95 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -65.1 -40.48 96.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.968 -0.634 . . . . 10.0 111.889 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.489 ' O ' ' HG2' ' A' ' 135' ' ' MET . 21.4 m -66.44 -44.6 82.39 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.682 0.277 . . . . 10.0 110.423 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -53.0 -58.17 7.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.805 -0.634 . . . . 10.0 111.985 -179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -61.91 -22.41 65.56 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 112.809 0.67 . . . . 10.0 112.809 -178.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 33.3 m -80.0 -19.48 47.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.248 . . . . 10.0 111.006 -179.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . 0.489 ' HG2' ' O ' ' A' ' 131' ' ' THR . 23.9 ptm -119.69 32.89 5.85 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.32 0.581 . . . . 10.0 109.502 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.01 -115.38 4.19 Favored Glycine 0 N--CA 1.446 -0.676 0 N-CA-C 109.912 -1.275 . . . . 10.0 109.912 -178.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.414 ' H ' HG12 ' A' ' 97' ' ' VAL . 12.8 mt 28.81 90.52 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.616 0 N-CA-C 114.022 1.119 . . . . 10.0 114.022 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -75.34 148.38 39.32 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.83 -0.623 . . . . 10.0 109.972 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 27.6 m -94.43 151.23 3.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 3.8 p -83.31 -26.44 7.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.855 0.36 . . . . 10.0 110.43 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--O 1.247 0.957 0 N-CA-C 109.386 -0.598 . . . . 10.0 109.386 -179.573 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 100.348 -1.28 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.405 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 110.919 -0.821 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 108.099 1.213 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.542 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C4'-C3' 103.156 -1.674 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.542 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C3'-C2'-O2' 111.16 -0.738 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . 0.462 H5'' " O4'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 102.878 -1.873 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.462 " O4'" H5'' ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 O4'-C4'-C3' 103.438 -1.473 . 0.0 OUTLIER '7D dist 9a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.444 -0.723 0 C3'-C2'-C1' 102.868 1.52 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.854 0 O4'-C1'-C2' 108.476 1.483 . 0.555 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.535 " O2'" H5'' ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 99.922 -1.753 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.535 H5'' " O2'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C3'-C2'-C1' 100.643 -0.952 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.458 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 108.425 1.447 . 0.218 2h . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.727 ' H8 ' " O5'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.058 0 C3'-C2'-O2' 111.204 -0.723 . 0.307 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.507 " O4'" " H2'" ' B' 1063 ' ' ' G' . . . . . . . . 0 C3'--C2' 1.541 1.436 0 C4'-C3'-C2' 105.081 2.381 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C3'-C2'-O2' 110.271 -1.045 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.572 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 O4'-C1'-C2' 107.663 0.902 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.676 0.911 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 108.499 1.5 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.572 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 103.816 1.116 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C1'-C2'-O2' 108.073 -0.842 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.611 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.865 1.047 . 0.085 '#a' . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.692 ' O2 ' ' H5 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C4'-C3'-C2' 103.617 0.917 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.435 " H2'" " O4'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.018 0 OP1-P-O3' 110.038 0.824 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.435 " O4'" " H2'" ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C4'-C3' 103.486 -1.439 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.421 ' C6 ' " H3'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 107.989 1.135 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.742 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 O4'-C4'-C3' 102.276 -2.303 . 0.708 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.742 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 103.577 -1.373 . 0.372 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.73 H5'' " O5'" ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 O4'-C1'-C2' 107.783 0.988 . 0.192 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.021 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.079 0 O4'-C1'-C2' 108.243 1.317 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . 0.473 " H1'" HG13 ' A' ' 127' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.999 0 O4'-C4'-C3' 103.135 -1.689 . 0.092 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.453 " O3'" ' HA ' ' A' ' 118' ' ' ALA . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 103.455 -1.461 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.654 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-O2' 111.042 -0.779 . 0.062 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.605 0 O4'-C4'-C3' 103.945 -1.111 . 0.0 OUTLIER beta 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.699 0.928 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C4'-C3'-C2' 103.538 0.838 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.095 0 O4'-C4'-C3' 103.048 -1.752 . 0.455 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . 0.448 ' N2 ' " H1'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 O4'-C1'-C2' 108.324 1.374 . 0.506 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.021 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.233 0 C4'-C3'-C2' 105.255 2.555 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C4'-C3'-C2' 103.894 1.194 . 0.047 3b . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.492 ' H6 ' " O5'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 C3'-C2'-O2' 111.024 -0.785 . 0.081 4g . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.624 " H2'" " O4'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 100.172 -1.476 . 0.136 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.692 ' H5 ' ' O2 ' ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 107.693 0.923 . 0.268 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 111.073 -0.768 . 0.692 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.897 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 107.88 1.057 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.556 ' H62' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C1'-C2' 107.806 1.004 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.55 ' C2 ' ' C2 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 99.95 -1.722 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.897 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 C3'-C2'-C1' 100.735 -0.85 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.493 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.835 1.025 . 0.209 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.786 0 C3'-C2'-C1' 100.521 -1.087 . 0.128 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.416 ' C2 ' ' C5 ' ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-O2' 111.023 -0.785 . 0.102 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.48 ' O2 ' ' N3 ' ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.037 0 C3'-C2'-O2' 111.18 -0.731 . 0.571 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.679 " H2'" " O4'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 C3'-C2'-O2' 111.055 -0.774 . 0.635 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.679 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C1'-C2' 108.078 1.198 . 0.333 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 103.31 -1.565 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.53 " H2'" ' C8 ' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.854 1.038 . 0.856 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.53 ' C8 ' " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 O4'-C4'-C3' 103.419 -1.486 . 0.196 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.608 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.036 0 O4'-C1'-C2' 107.694 0.924 . 0.411 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.608 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 107.878 1.056 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.537 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.464 ' N ' HD12 ' C' ' 1' ' ' ILE . 3.6 mp . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 120.717 0.294 . . . . 10.0 110.992 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.6 77.17 1.6 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.045 -0.525 . . . . 10.0 110.915 179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -121.43 125.15 46.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 119.588 1.085 . . . . 10.0 110.639 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.665 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 71.27 97.82 0.07 Allowed 'General case' 0 CA--C 1.449 -2.907 0 CA-C-N 116.209 -0.451 . . . . 10.0 111.353 -177.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.689 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.556 HG22 ' H62' ' B' 1095 ' ' ' A' . 0.0 OUTLIER -167.73 137.59 2.71 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 112.828 -1.987 . . . . 10.0 111.755 -179.057 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.4 ' N ' ' C8 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.507 HD13 ' N ' ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 40.7 p -134.15 -165.21 1.61 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.778 -2.01 . . . . 10.0 110.244 -178.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.689 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . 0.432 ' O ' ' HB1' ' C' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . 0.432 ' HB1' ' O ' ' C' ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 119.61 1.096 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 . . . . . 0 N--CA 1.485 1.323 0 N-CA-C 109.522 -0.547 . . . . 10.0 109.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.6 131.97 68.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.408 0.623 . . . . 10.0 111.578 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -121.3 130.66 53.77 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.904 -1.147 . . . . 10.0 107.904 179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.5 mt -136.91 151.73 49.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.345 0.593 . . . . 10.0 112.553 -178.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -110.45 93.1 4.32 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.198 -1.038 . . . . 10.0 108.198 178.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.21 153.2 43.42 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 116.012 -0.54 . . . . 10.0 111.853 -177.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.81 136.45 30.24 Favored 'Trans proline' 0 C--N 1.348 0.512 0 C-N-CA 122.962 2.441 . . . . 10.0 111.711 178.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.0 100.31 0.96 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.946 -179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.58 -26.44 5.99 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.683 -0.77 . . . . 10.0 113.585 178.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -125.46 112.2 15.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 117.203 0.502 . . . . 10.0 112.039 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -161.29 83.43 0.63 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.217 -0.66 . . . . 10.0 109.217 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.607 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -145.4 -47.46 0.02 OUTLIER Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.436 0.902 . . . . 10.0 113.436 -177.832 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.607 ' HD2' ' H ' ' A' ' 19' ' ' THR . 84.9 Cg_exo -49.15 141.04 24.15 Favored 'Trans proline' 0 C--N 1.364 1.357 0 C-N-CA 122.489 2.126 . . . . 10.0 113.559 -179.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.17 -45.06 78.98 Favored Pre-proline 0 CA--C 1.538 0.495 0 N-CA-C 114.093 1.146 . . . . 10.0 114.093 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 54.9 Cg_exo -48.35 -52.57 8.18 Favored 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 121.955 1.77 . . . . 10.0 114.54 -179.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.548 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 3.5 Cg_exo -77.25 -47.94 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.05 0 C-N-CA 121.473 1.449 . . . . 10.0 112.157 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.596 HG11 ' CE1' ' A' ' 38' ' ' PHE . 11.5 t -98.4 -106.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.907 -179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 35.63 -107.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.888 0 O-C-N 123.833 0.708 . . . . 10.0 113.923 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.652 ' HG2' ' HG3' ' C' ' 8' ' ' DBU . 74.8 Cg_exo -47.06 -44.99 22.31 Favored 'Trans proline' 0 C--N 1.347 0.455 0 C-N-CA 124.208 3.272 . . . . 10.0 114.568 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.486 ' HA ' ' N1 ' ' B' 1096 ' ' ' A' . . . -34.61 -60.01 0.45 Allowed 'General case' 0 N--CA 1.47 0.53 0 O-C-N 124.085 0.865 . . . . 10.0 113.136 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.45 -19.31 14.46 Favored 'General case' 0 C--N 1.318 -0.777 0 C-N-CA 120.878 -0.329 . . . . 10.0 111.321 -179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.36 -0.72 58.64 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 121.096 -0.573 . . . . 10.0 113.201 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -92.79 -14.67 27.53 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.355 0.598 . . . . 10.0 110.779 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.411 ' O ' HG21 ' A' ' 60' ' ' VAL . 62.5 m-70 -122.07 48.84 1.65 Allowed 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.776 -1.194 . . . . 10.0 107.776 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.536 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 75.48 -149.07 38.09 Favored Glycine 0 N--CA 1.441 -1.031 0 N-CA-C 107.845 -2.102 . . . . 10.0 107.845 -176.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.536 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 91.6 t 83.57 128.71 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 122.007 0.908 . . . . 10.0 111.578 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -91.78 95.55 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.916 -1.038 . . . . 10.0 109.937 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 45.8 mt -46.91 -53.85 2.84 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 CA-C-N 115.731 -0.668 . . . . 10.0 112.645 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.3 ptp -57.35 -40.48 78.11 Favored 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 112.193 0.442 . . . . 10.0 112.193 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -71.48 -40.65 70.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.901 0.381 . . . . 10.0 110.71 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.596 ' CE1' HG11 ' A' ' 24' ' ' VAL . 0.0 OUTLIER -57.46 -43.96 84.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.7 -0.682 . . . . 10.0 110.916 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.5 t -58.64 -50.35 74.15 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.002 -0.545 . . . . 10.0 111.336 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -59.57 -47.55 85.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.857 -0.61 . . . . 10.0 111.324 -179.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -58.01 -54.06 51.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.004 0.43 . . . . 10.0 111.238 -179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -59.12 -47.82 83.86 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.836 -0.62 . . . . 10.0 111.706 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -62.26 -39.34 92.55 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.477 0.547 . . . . 10.0 112.477 -178.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.21 -34.34 70.76 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -87.63 -53.85 4.57 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 112.544 0.572 . . . . 10.0 112.544 -178.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.09 14.16 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 113.844 1.053 . . . . 10.0 113.844 -177.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.56 -22.65 58.88 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.452 0.644 . . . . 10.0 109.678 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -66.9 -30.42 70.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.287 -0.869 . . . . 10.0 111.387 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 tttp -119.08 29.83 7.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.06 0.457 . . . . 10.0 110.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.32 137.04 29.83 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.342 -0.844 . . . . 10.0 111.837 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.28 -12.94 48.29 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.691 -0.686 . . . . 10.0 112.169 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.4 mmt -112.36 169.55 8.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.696 0.284 . . . . 10.0 110.503 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.6 mt -103.37 123.46 56.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 108.711 -0.848 . . . . 10.0 108.711 178.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.7 tp -126.81 129.4 24.05 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.838 0.352 . . . . 10.0 111.541 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -79.02 127.79 7.92 Favored 'Trans proline' 0 N--CA 1.46 -0.489 0 C-N-CA 122.663 2.242 . . . . 10.0 111.279 178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.7 t -121.68 136.44 58.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-O 121.039 0.447 . . . . 10.0 110.808 -179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 46.0 t -91.46 115.67 31.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.226 178.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mt -107.09 109.43 28.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.082 0.468 . . . . 10.0 110.462 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 2.1 m -96.37 119.78 35.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.185 -0.461 . . . . 10.0 109.948 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 31' ' ' HIS . 9.9 p -105.46 153.5 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.224 -0.444 . . . . 10.0 109.836 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -126.13 -167.93 1.78 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.615 0.245 . . . . 10.0 111.272 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.35 -48.12 65.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.279 0.561 . . . . 10.0 109.639 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -67.89 156.34 37.4 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.191 -0.913 . . . . 10.0 108.738 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.2 mtpp -72.0 49.31 0.18 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.892 0.377 . . . . 10.0 111.921 -179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 39.8 m -129.07 163.36 25.61 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.781 -0.452 . . . . 10.0 109.781 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.7 p90 -155.84 171.9 19.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.978 0.418 . . . . 10.0 110.326 -179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.9 t -142.03 163.52 32.66 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.392 -0.966 . . . . 10.0 108.392 178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.439 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 6.5 p90 -144.95 140.62 28.37 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.123 0.487 . . . . 10.0 111.352 -178.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 17.0 mt -127.92 117.27 45.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.372 -0.831 . . . . 10.0 109.297 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 35.1 pt -75.85 150.95 6.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -132.58 154.27 50.19 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.751 0.31 . . . . 10.0 111.022 -179.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.1 152.0 63.65 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 115.674 -0.694 . . . . 10.0 110.418 178.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 23.6 Cg_endo -60.97 137.76 74.26 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.237 1.958 . . . . 10.0 112.08 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 73' ' ' PRO . 67.6 Cg_exo -52.49 155.78 9.43 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 123.086 2.524 . . . . 10.0 113.052 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.88 -39.25 71.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.746 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.437 ' O ' ' HD3' ' A' ' 80' ' ' LYS . 0.3 OUTLIER -53.45 -35.43 60.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.527 -0.76 . . . . 10.0 111.415 179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -76.36 -42.04 46.04 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.663 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.3 mt -58.79 -49.58 77.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.904 -0.589 . . . . 10.0 111.67 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.6 -29.47 68.82 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.754 -0.378 . . . . 10.0 111.585 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.472 ' NZ ' " H4'" ' B' 1063 ' ' ' G' . 10.7 mtpt -73.17 -25.05 60.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.016 0.436 . . . . 10.0 110.292 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HA ' HD12 ' A' ' 85' ' ' ILE . 21.8 mmtt -80.01 -25.93 40.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.034 -0.53 . . . . 10.0 109.93 179.157 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.55 -41.41 24.17 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.752 -0.658 . . . . 10.0 111.527 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -107.91 -149.21 0.43 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.498 -0.319 . . . . 10.0 111.237 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.73 118.21 14.17 Favored Glycine 0 N--CA 1.448 -0.531 0 N-CA-C 111.75 -0.54 . . . . 10.0 111.75 179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.64 HG12 ' H ' ' A' ' 86' ' ' GLU . 10.6 tt -103.03 -172.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.781 -0.209 . . . . 10.0 110.474 -179.061 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.64 ' H ' HG12 ' A' ' 85' ' ' ILE . 17.4 tt0 82.18 -73.54 0.04 OUTLIER 'General case' 0 CA--C 1.523 -0.095 0 C-N-CA 124.167 0.987 . . . . 10.0 110.963 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.554 ' HE3' " O3'" ' B' 1064 ' ' ' C' . 22.1 tptm -120.0 124.74 46.66 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.91 -0.774 . . . . 10.0 108.91 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -112.54 80.53 0.28 Allowed Glycine 0 C--O 1.223 -0.582 0 C-N-CA 120.107 -1.044 . . . . 10.0 115.079 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 44.73 102.75 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 115.047 1.499 . . . . 10.0 115.047 176.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.7 m -62.93 -34.61 77.82 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.04 -0.726 . . . . 10.0 109.04 177.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' OE1' ' HG3' ' A' ' 95' ' ' LYS . 0.1 OUTLIER -123.9 80.76 56.57 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 114.959 -1.019 . . . . 10.0 109.643 178.322 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 53.7 Cg_exo -54.18 156.48 13.16 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.172 2.581 . . . . 10.0 112.712 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 25.0 ttpt 72.72 -34.05 0.29 Allowed 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.131 0.572 . . . . 10.0 111.236 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 22.3 mmt180 -85.24 -36.78 20.71 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.628 -0.508 . . . . 10.0 109.628 179.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.422 ' HG3' ' OE1' ' A' ' 91' ' ' GLU . 6.1 mtmm -126.05 121.29 32.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.96 -0.563 . . . . 10.0 109.726 178.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.4 pt -101.55 124.54 55.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.168 0.508 . . . . 10.0 111.515 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.3 t -85.2 -51.38 13.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.439 -0.801 . . . . 10.0 111.473 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.514 ' O ' ' HA ' ' A' ' 137' ' ' ILE . . . -148.96 -170.76 17.0 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.587 -0.816 . . . . 10.0 111.967 -179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -130.45 162.14 29.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.686 0.279 . . . . 10.0 110.833 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 4.2 p -130.02 164.25 33.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.824 -0.626 . . . . 10.0 109.755 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.419 ' O ' HG12 ' A' ' 105' ' ' ILE . 0.5 OUTLIER -115.55 154.65 29.01 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 122.332 -0.23 . . . . 10.0 110.879 -179.827 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 74.7 mtt180 -53.25 -39.78 64.11 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.42 0.45 . . . . 10.0 111.676 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.55 -32.97 66.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.333 -0.394 . . . . 10.0 111.024 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -68.22 -48.87 64.02 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.677 -179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 101' ' ' THR . 8.4 pt -64.44 -32.99 59.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.587 0.232 . . . . 10.0 111.187 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -63.31 -43.73 97.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.985 0.422 . . . . 10.0 109.998 179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -62.94 -39.95 96.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.823 -0.626 . . . . 10.0 110.374 179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -42.03 88.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.996 0.427 . . . . 10.0 109.985 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.75 -38.57 91.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.556 179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . 0.515 ' HA ' ' SD ' ' A' ' 113' ' ' MET . 86.5 tttt -67.53 -35.42 79.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.67 . . . . 10.0 110.448 179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 85.0 m -63.36 -42.22 98.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.958 -0.565 . . . . 10.0 111.363 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.42 ' HG2' ' HB3' ' A' ' 115' ' ' ASP . 41.6 tttm -100.42 20.6 14.57 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.569 -0.287 . . . . 10.0 111.763 -178.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.564 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 4.5 mtt -58.23 -45.86 99.7 Favored Pre-proline 0 CA--C 1.54 0.563 0 N-CA-C 112.771 0.656 . . . . 10.0 112.771 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 113' ' ' MET . 29.9 Cg_endo -62.38 -17.52 58.0 Favored 'Trans proline' 0 C--N 1.357 0.986 0 C-N-CA 122.117 1.878 . . . . 10.0 112.28 179.27 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.42 ' HB3' ' HG2' ' A' ' 112' ' ' LYS . 7.3 t70 -115.88 36.33 4.07 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.339 0.59 . . . . 10.0 109.414 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.1 tp -156.55 98.15 1.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.997 -1.002 . . . . 10.0 109.786 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.81 62.41 4.82 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 111.846 0.313 . . . . 10.0 111.846 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -95.17 -0.83 52.89 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 113.83 1.048 . . . . 10.0 113.83 -178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 12.2 m-20 67.97 -73.44 0.08 Allowed 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.623 0.601 . . . . 10.0 112.623 179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.64 156.23 18.27 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.079 0.466 . . . . 10.0 111.889 -178.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' H ' HD12 ' A' ' 121' ' ' LEU . 4.2 mp -66.47 -42.01 88.14 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.353 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 5.8 pm0 -61.29 -36.65 80.63 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.778 -0.646 . . . . 10.0 110.763 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -67.98 -43.32 79.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 10.0 110.106 179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.41 81.02 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.212 0.529 . . . . 10.0 110.401 179.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 42.7 ttp -68.0 -38.27 82.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.56 -0.745 . . . . 10.0 109.986 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -61.09 -45.16 95.86 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.872 -0.604 . . . . 10.0 111.105 179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 74.8 mt -53.59 -51.0 46.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.496 -0.32 . . . . 10.0 111.408 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.82 -38.38 78.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 120.722 0.296 . . . . 10.0 110.424 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.44 -41.67 90.14 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.139 0.495 . . . . 10.0 109.694 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 133' ' ' LYS . . . -62.13 -39.44 97.64 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.662 179.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 6.9 m -68.29 -43.27 78.08 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.924 0.392 . . . . 10.0 110.477 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -58.2 -51.91 67.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.857 -0.611 . . . . 10.0 111.589 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 130' ' ' GLY . 0.2 OUTLIER -65.04 -23.19 67.12 Favored 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 111.76 0.281 . . . . 10.0 111.76 -179.03 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.3 m -81.32 -13.31 58.54 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.087 -0.245 . . . . 10.0 111.302 -179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 58.5 mmm -122.4 27.88 7.68 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.282 0.563 . . . . 10.0 110.58 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 94.9 -113.4 4.59 Favored Glycine 0 N--CA 1.446 -0.696 0 N-CA-C 110.307 -1.117 . . . . 10.0 110.307 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.514 ' HA ' ' O ' ' A' ' 98' ' ' GLY . 63.4 mt 20.51 106.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.03 0 N-CA-C 115.39 1.626 . . . . 10.0 115.39 177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -66.71 137.8 56.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.591 -0.731 . . . . 10.0 110.601 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 43.4 t -72.63 -27.49 25.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.836 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 30.8 t 74.98 -64.17 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.2 0 CA-C-N 115.747 -0.661 . . . . 10.0 110.938 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 10.0 111.638 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.975 -0.802 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.678 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-O2' 111.258 -0.704 . 0.456 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.054 0 O4'-C4'-C3' 103.694 -1.29 . 0.091 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C3'-C2'-O2' 110.671 -0.907 . 0.625 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . 0.589 H5'' " O4'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 108.808 1.72 . 0.44 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.589 " O4'" H5'' ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.809 0 OP1-P-O3' 110.127 0.852 . 0.599 9a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.56 " O2'" " H5'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-O2' 110.445 -0.984 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . 0.56 " H5'" " O2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C4'-C3' 102.654 -2.033 . 0.457 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 N19-C1'-C2' 115.415 1.259 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C3'-C2'-C1' 100.613 -0.985 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.674 " H2'" " O4'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C4'-C3'-C2' 105.304 2.604 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.674 " O4'" " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-O2' 110.548 -0.949 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.554 " O3'" ' HE3' ' A' ' 87' ' ' LYS . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.483 0.774 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.997 0 C3'-C2'-O2' 110.686 -0.901 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.644 ' O2 ' ' H8 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 O4'-C1'-C2' 107.574 0.839 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-O2' 110.955 -0.809 . 0.01 1g . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . 0.477 ' H22' " H2'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.091 0 O4'-C1'-C2' 108.177 1.269 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.644 ' H8 ' ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C3'-C2'-C1' 100.483 -1.13 . 0.01 1[ . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . 0.479 " H3'" ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.872 -0.837 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.637 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C4'-C3'-C2' 104.591 1.891 OUTLIER-DELTA 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.454 ' C4 ' " H5'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 104.07 1.37 . 0.0 OUTLIER delta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.479 ' N6 ' " H3'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.914 -0.823 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.122 1.23 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.704 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 C3'-C2'-C1' 100.551 -1.054 . 0.319 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.693 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.132 -1.092 . 0.078 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.693 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 O4'-C1'-C2' 107.858 1.041 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.482 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.974 0 O4'-C1'-C2' 108.677 1.626 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 0.98 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 103.97 1.27 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 108.365 1.403 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.494 " H2'" ' C6 ' ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 108.329 1.378 . 0.017 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.528 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.981 0 O4'-C4'-C3' 104.189 -0.936 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.501 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-O2' 110.718 -0.89 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . 0.581 ' N3 ' " H5'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 O4'-C1'-C2' 107.47 0.764 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 103.612 -1.349 . 0.561 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 108.225 1.304 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.722 1.659 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 0.98 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O4'--C1' 1.404 -0.816 0 C4'-C3'-C2' 104.68 1.98 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 110.5 -0.965 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.435 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C1'-C2' 107.65 0.893 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.435 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.833 -0.851 . 0.654 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.776 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.009 0 C3'-C2'-O2' 111.192 -0.727 . 0.532 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.718 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 O4'-C4'-C3' 104.324 -0.84 . 0.646 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.925 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.179 1.112 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.676 ' H8 ' " O5'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-O2' 110.639 -0.918 . 0.01 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.857 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C1'-C2' 107.716 0.94 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.925 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C1'-C2'-O2' 108.396 -0.735 . 0.491 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.621 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 O4'-C1'-C2' 107.894 1.067 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.892 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.015 0 O4'-C4'-C3' 102.831 -1.906 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.892 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.713 0.938 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.582 ' H6 ' " O5'" ' B' 1101 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 C3'-C2'-C1' 100.604 -0.996 . 0.546 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.614 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-C2'-O2' 108.518 -0.694 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.614 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 C3'-C2'-O2' 110.969 -0.804 . 0.335 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.603 ' H6 ' " O5'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.05 0 C3'-C2'-C1' 100.402 -1.22 . 0.689 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.47 ' N4 ' ' H62' ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.808 0 O4'-C1'-C2' 107.86 1.043 . 0.42 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.71 " H2'" " O4'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 103.953 -1.105 . 0.291 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.71 " O4'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.781 0 O4'-C1'-C2' 108.362 1.402 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C4'-C3' 103.859 -1.172 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.437 ' C7 ' HD12 ' C' ' 1' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.665 ' N ' HD12 ' C' ' 1' ' ' ILE . 1.7 mp . . . . . 0 N--CA 1.49 1.558 0 CA-C-O 120.893 0.378 . . . . 10.0 110.987 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -166.1 24.66 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.031 -0.531 . . . . 10.0 110.577 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.502 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -121.59 134.12 55.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 119.03 0.832 . . . . 10.0 109.755 174.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.662 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 54.96 82.17 0.1 Allowed 'General case' 0 CA--C 1.449 -2.941 0 C-N-CA 119.813 -0.755 . . . . 10.0 110.063 -175.102 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.523 ' C ' ' HB3' ' A' ' 26' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.774 HG22 ' H ' ' C' ' 9' ' ' DCY . 32.5 m -137.88 145.74 42.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 112.059 -2.337 . . . . 10.0 110.266 173.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . 0.652 ' HG3' ' HG2' ' A' ' 26' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.774 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.415 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 33.9 p -125.99 -168.77 1.9 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 113.236 -1.802 . . . . 10.0 110.218 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.662 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 119.579 1.081 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 65.2 mm-40 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.203 -0.295 . . . . 10.0 110.203 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -125.46 127.65 71.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.561 -0.29 . . . . 10.0 110.375 179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -118.73 122.29 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.541 -0.911 . . . . 10.0 108.541 178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.3 mt -132.13 161.97 32.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.628 0.728 . . . . 10.0 112.649 -178.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' OE1' ' HB3' ' A' ' 55' ' ' PRO . 0.4 OUTLIER -117.35 99.58 7.11 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.273 -1.33 . . . . 10.0 107.468 179.279 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 47.0 mt -120.11 143.84 36.43 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 112.896 0.702 . . . . 10.0 112.896 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_endo -72.16 141.22 35.64 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.947 2.431 . . . . 10.0 111.98 178.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.59 109.85 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.754 0.65 . . . . 10.0 112.754 -178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.68 -20.85 38.14 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.723 -0.671 . . . . 10.0 113.904 177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -118.86 104.59 10.68 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 117.339 0.57 . . . . 10.0 111.94 -178.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -157.35 88.49 1.01 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.169 178.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.684 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -150.8 -51.73 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.489 0 N-CA-C 112.562 0.579 . . . . 10.0 112.562 -179.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.684 ' HD2' ' H ' ' A' ' 19' ' ' THR . 38.7 Cg_exo -37.73 134.33 0.59 Allowed 'Trans proline' 0 C--N 1.367 1.536 0 C-N-CA 123.387 2.725 . . . . 10.0 114.349 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.39 -45.69 59.42 Favored Pre-proline 0 CA--C 1.541 0.603 0 N-CA-C 113.768 1.025 . . . . 10.0 113.768 -179.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.652 ' HA ' ' HG1' ' C' ' 8' ' ' DBU . 50.6 Cg_exo -50.7 -51.42 11.14 Favored 'Trans proline' 0 C--N 1.359 1.096 0 C-N-CA 121.908 1.739 . . . . 10.0 114.877 -178.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 15.6 Cg_exo -69.37 -51.7 0.4 Allowed 'Trans proline' 0 C--N 1.357 1.02 0 C-N-CA 121.731 1.621 . . . . 10.0 112.605 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.62 -104.3 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.291 -0.413 . . . . 10.0 111.183 -179.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.425 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 41.2 -110.36 0.2 Allowed Glycine 0 CA--C 1.523 0.556 0 O-C-N 123.597 0.561 . . . . 10.0 113.796 -179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.52 ' HB3' ' N ' ' C' ' 7' ' ' THR . 51.2 Cg_exo -55.2 -31.43 75.96 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 123.499 2.8 . . . . 10.0 113.802 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.27 -57.9 5.99 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 120.89 0.376 . . . . 10.0 112.013 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 28' ' ' LEU . 0.5 OUTLIER -87.06 -19.68 28.24 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.339 -0.392 . . . . 10.0 110.379 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -74.01 1.09 49.49 Favored Glycine 0 C--N 1.335 0.479 0 CA-C-N 116.088 -0.505 . . . . 10.0 112.483 -179.15 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.0 tm0? -88.01 -25.05 23.32 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.305 0.574 . . . . 10.0 110.086 179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' HG21 ' A' ' 60' ' ' VAL . 89.0 m-70 -113.56 48.77 1.03 Allowed 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.718 -1.215 . . . . 10.0 107.718 179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 33' ' ' VAL . . . 73.37 -149.39 42.1 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 108.405 -1.878 . . . . 10.0 108.405 -176.537 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.513 ' HB ' ' O ' ' A' ' 32' ' ' GLY . 70.2 t 81.38 116.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 117.907 0.853 . . . . 10.0 112.073 176.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -83.75 99.1 10.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.077 -0.965 . . . . 10.0 109.536 179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 35' ' ' ILE . 13.4 mt -48.57 -54.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 113.167 0.802 . . . . 10.0 113.167 -178.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -59.54 -31.28 69.26 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.165 0.431 . . . . 10.0 112.165 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -76.56 -44.21 35.72 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.007 0.432 . . . . 10.0 110.279 -179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -34.2 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.71 -0.677 . . . . 10.0 109.997 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.4 t -59.37 -54.3 48.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.729 -0.668 . . . . 10.0 111.051 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 19.2 mttm -66.9 -46.08 75.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.964 -0.562 . . . . 10.0 112.01 -178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.1 ttm180 -56.09 -49.14 74.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.902 0.382 . . . . 10.0 111.602 -178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -66.34 -44.45 83.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.893 0.377 . . . . 10.0 111.278 -179.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -61.61 -38.7 88.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 10.0 111.581 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -71.78 -23.09 61.52 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.041 0.756 . . . . 10.0 113.041 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG3' ' CZ ' ' A' ' 68' ' ' PHE . 70.8 mm-40 -95.23 -54.27 3.48 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 112.187 0.44 . . . . 10.0 112.187 -179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.48 13.32 0.36 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 113.456 0.91 . . . . 10.0 113.456 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.35 -26.14 64.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.224 0.535 . . . . 10.0 109.818 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -61.36 -42.19 98.31 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.409 -0.814 . . . . 10.0 111.058 179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.0 mttp -107.27 30.28 6.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.978 -0.556 . . . . 10.0 111.756 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -51.62 125.34 14.5 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.112 0.482 . . . . 10.0 111.825 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.64 -20.88 10.81 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.969 -0.634 . . . . 10.0 111.699 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 20.6 mmt -103.0 170.25 8.08 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.142 -0.318 . . . . 10.0 110.142 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.8 mt -113.73 117.3 55.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 108.825 -0.805 . . . . 10.0 108.825 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 7.2 mp -119.31 143.26 33.97 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 120.902 0.382 . . . . 10.0 111.512 -177.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.438 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . 81.3 Cg_endo -83.62 133.05 5.94 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 122.653 2.235 . . . . 10.0 110.972 178.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.8 t -123.72 128.48 74.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 C-N-CA 120.64 -0.424 . . . . 10.0 110.872 -179.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.5 t -87.87 113.53 25.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.549 -0.908 . . . . 10.0 108.549 178.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.4 mt -105.15 112.09 37.29 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 120.956 0.408 . . . . 10.0 110.142 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.411 ' HB ' HG22 ' A' ' 67' ' ' THR . 85.8 m -98.7 123.89 43.2 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.105 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 31' ' ' HIS . 13.8 p -113.54 145.21 19.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.618 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -116.43 -174.47 2.57 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.104 179.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 62' ' ' GLU . 2.3 pm0 -63.67 -44.28 94.23 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.006 -0.368 . . . . 10.0 110.006 179.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.21 151.11 47.46 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.26 -1.015 . . . . 10.0 108.26 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -72.05 55.25 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.211 0.529 . . . . 10.0 112.141 -179.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 p -132.95 164.72 26.33 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.922 -0.77 . . . . 10.0 108.922 178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -160.94 -178.68 6.97 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.98 0.419 . . . . 10.0 111.014 -179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.411 HG22 ' HB ' ' A' ' 59' ' ' THR . 8.6 t -144.22 170.73 15.41 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.879 -0.785 . . . . 10.0 108.879 178.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.606 ' CZ ' ' HG3' ' A' ' 45' ' ' GLU . 5.8 p90 -137.66 146.04 43.38 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-O 120.932 0.396 . . . . 10.0 110.66 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 83.4 mt -137.07 108.93 6.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 N-CA-C 109.08 -0.711 . . . . 10.0 109.08 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 19.3 pt -79.6 151.12 4.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.583 -0.28 . . . . 10.0 110.308 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -138.74 171.07 14.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.157 -0.474 . . . . 10.0 110.53 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.86 142.34 98.58 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.1 -0.5 . . . . 10.0 111.105 179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HA ' ' HD3' ' A' ' 74' ' ' PRO . 11.9 Cg_endo -55.96 146.97 65.81 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.898 2.399 . . . . 10.0 112.627 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.438 ' HA ' ' OP1' ' B' 1060 ' ' ' U' . 51.5 Cg_exo -54.32 146.44 50.84 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.187 2.592 . . . . 10.0 113.23 -179.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.4 ' HA ' HD12 ' A' ' 78' ' ' LEU . . . -59.93 -36.75 77.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.542 -0.754 . . . . 10.0 110.765 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -33.08 64.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 10.0 111.824 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -80.32 -30.25 38.14 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.979 -0.288 . . . . 10.0 111.07 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD12 ' HA ' ' A' ' 75' ' ' ALA . 80.9 mt -67.68 -45.71 74.42 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.895 0.378 . . . . 10.0 110.655 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' H ' ' HG ' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -72.0 -24.83 61.63 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.81 -0.356 . . . . 10.0 110.758 179.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 18.5 ttpt -71.86 -23.0 61.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.256 0.55 . . . . 10.0 109.904 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 31.3 mmtp -85.52 -25.43 26.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.169 179.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -85.5 -43.8 13.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.932 -0.577 . . . . 10.0 111.271 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -94.4 -151.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.33 -0.396 . . . . 10.0 111.561 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.55 115.28 7.45 Favored Glycine 0 N--CA 1.447 -0.631 0 CA-C-N 115.963 -0.562 . . . . 10.0 111.975 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 11.7 tt -91.74 -179.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 29.5 mt-10 83.03 -51.57 0.16 Allowed 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.123 0.969 . . . . 10.0 110.484 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 77.5 tttt -154.76 147.22 24.04 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.108 -0.496 . . . . 10.0 109.908 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -121.91 69.46 0.42 Allowed Glycine 0 C--N 1.333 0.393 0 C-N-CA 120.299 -0.953 . . . . 10.0 114.193 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.2 p 50.26 112.51 0.0 OUTLIER 'General case' 0 N--CA 1.482 1.169 0 N-CA-C 114.523 1.305 . . . . 10.0 114.523 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.3 m -69.0 -17.47 63.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.374 0.607 . . . . 10.0 109.796 177.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -123.34 77.36 53.48 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.454 -0.793 . . . . 10.0 109.78 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.449 ' C ' ' H ' ' A' ' 94' ' ' ARG . 55.4 Cg_exo -53.24 144.27 49.07 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.236 2.624 . . . . 10.0 112.343 179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 10.0 ttpt 72.6 -32.16 0.24 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.357 0.663 . . . . 10.0 111.216 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.449 ' H ' ' C ' ' A' ' 92' ' ' PRO . 14.3 mmt180 -78.82 -50.21 11.66 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.732 -0.47 . . . . 10.0 109.732 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 1.6 mmmm -110.84 116.51 31.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.668 -0.696 . . . . 10.0 110.166 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 13.2 pt -88.3 129.06 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.927 0.394 . . . . 10.0 110.288 179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.0 t -93.87 -71.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.082 -0.508 . . . . 10.0 111.275 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -132.34 -162.5 10.37 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.281 -0.961 . . . . 10.0 112.901 -178.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.425 ' HG2' ' HB2' ' A' ' 138' ' ' GLU . 20.3 mttp -131.61 157.98 42.25 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.088 0.471 . . . . 10.0 111.415 -179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.6 p -136.51 150.46 27.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.39 -0.823 . . . . 10.0 108.794 178.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.58 160.3 14.86 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 122.234 -0.291 . . . . 10.0 111.579 -178.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.8 mtt180 -57.14 -44.96 83.87 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.192 -0.458 . . . . 10.0 111.31 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.16 -29.35 67.35 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.015 0.436 . . . . 10.0 110.456 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -67.84 -50.42 56.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.779 -0.646 . . . . 10.0 110.65 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.479 ' HA ' HD12 ' A' ' 108' ' ' ILE . 9.1 pt -66.46 -31.0 51.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.699 0.285 . . . . 10.0 110.983 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -66.14 -33.42 75.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.315 -0.402 . . . . 10.0 109.958 179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -67.27 -40.65 86.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.153 178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.479 HD12 ' HA ' ' A' ' 105' ' ' ILE . 14.3 mt -68.56 -41.95 83.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.057 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.64 91.61 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.798 -0.637 . . . . 10.0 110.579 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -66.85 -39.23 87.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.936 -0.575 . . . . 10.0 111.339 -179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.9 -23.8 65.15 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 116.533 -0.303 . . . . 10.0 111.705 -179.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 44.8 tttm -111.51 18.82 18.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.909 -0.316 . . . . 10.0 111.205 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.489 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 12.5 mtt -58.82 -48.35 96.98 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 112.746 0.647 . . . . 10.0 112.746 -179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.489 ' HD2' ' N ' ' A' ' 113' ' ' MET . 40.5 Cg_endo -67.43 -2.33 8.08 Favored 'Trans proline' 0 C--N 1.358 1.046 0 C-N-CA 121.986 1.791 . . . . 10.0 113.0 179.581 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 43.4 t0 -130.28 32.14 4.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.843 0.83 . . . . 10.0 109.122 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.481 HD11 HG21 ' A' ' 127' ' ' ILE . 20.1 tp -160.7 92.83 0.97 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 114.665 -1.152 . . . . 10.0 109.163 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.17 80.35 2.98 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.372 0.508 . . . . 10.0 112.372 -178.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -111.18 -4.53 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.007 0.373 . . . . 10.0 112.007 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 66.89 -67.45 0.16 Allowed 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.135 0.791 . . . . 10.0 113.135 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.1 m -89.32 149.35 23.08 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.06 0.457 . . . . 10.0 111.699 -178.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.3 mp -63.34 -41.47 98.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.67 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -62.49 -34.45 76.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.283 -0.417 . . . . 10.0 110.834 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.94 -46.56 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.337 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -64.27 -34.29 77.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.192 0.52 . . . . 10.0 110.193 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 10.4 ttt -68.57 -41.51 79.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.36 -0.836 . . . . 10.0 109.91 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 126' ' ' LYS . 24.4 tptt -65.32 -39.93 93.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.007 -0.542 . . . . 10.0 111.16 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.852 HG23 ' H21' ' B' 1059 ' ' ' G' . 67.3 mt -54.67 -42.52 61.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.514 178.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.72 -37.85 78.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.319 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.15 179.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -59.51 -36.33 75.88 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.024 178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.423 ' HA2' ' HE2' ' A' ' 133' ' ' LYS . . . -59.69 -46.65 93.67 Favored Glycine 0 N--CA 1.446 -0.693 0 CA-C-N 115.45 -0.795 . . . . 10.0 111.805 179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . 0.46 ' HB ' HD21 ' A' ' 79' ' ' LEU . 0.2 OUTLIER -67.44 -38.2 84.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.027 0.442 . . . . 10.0 110.596 179.754 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.13 -53.32 59.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.733 -0.667 . . . . 10.0 111.473 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.423 ' HE2' ' HA2' ' A' ' 130' ' ' GLY . 59.4 pttt -65.85 -22.91 66.57 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.866 0.321 . . . . 10.0 111.866 -179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 66.7 m -79.31 -15.01 58.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.983 0.421 . . . . 10.0 110.888 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 86.8 mtp -121.89 32.15 5.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.186 0.517 . . . . 10.0 109.925 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.65 -110.67 3.4 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 109.781 -1.328 . . . . 10.0 109.781 -178.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 13.1 mt 30.84 101.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 N-CA-C 115.086 1.513 . . . . 10.0 115.086 177.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.425 ' HB2' ' HG2' ' A' ' 99' ' ' LYS . 54.6 mt-10 -68.82 133.1 47.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.486 179.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . 0.54 ' O ' ' HB ' ' A' ' 140' ' ' VAL . 1.9 t -75.67 -7.1 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.053 -0.521 . . . . 10.0 111.691 -179.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . 0.54 ' HB ' ' O ' ' A' ' 139' ' ' VAL . 12.1 t 78.29 -56.14 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 C-N-CA 123.078 0.551 . . . . 10.0 111.025 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.175 -0.917 . . . . 10.0 111.63 179.758 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.463 -0.978 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.74 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C3'-C2'-C1' 100.71 -0.878 . 0.0 OUTLIER '7D dist 1m' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . 0.489 ' H6 ' " O5'" ' B' 1053 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C1'-C2' 108.042 1.173 . 0.481 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.737 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C1'-C2' 108.16 1.257 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.737 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 C3'-C2'-O2' 110.542 -0.951 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 O4'-C4'-C3' 103.218 -1.63 . 0.048 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 O4'-C1'-C2' 108.503 1.502 . 0.725 9a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.776 " H2'" " O4'" ' B' 1059 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C1'-C2' 108.192 1.28 . 0.053 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . 0.852 ' H21' HG23 ' A' ' 127' ' ' ILE . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 O4'-C4'-C3' 103.063 -1.741 . 0.116 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.441 " H1'" ' OP2' ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 100.781 -0.799 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.416 " H3'" " O3'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C3'-C2'-O2' 111.066 -0.77 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.56 " H2'" " O4'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 O4'-C1'-C2' 108.815 1.725 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.56 " O4'" " H2'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.915 0 C3'-C2'-C1' 100.861 -0.71 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 O4'-C4'-C3' 102.499 -2.143 . 0.331 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . 0.522 " H2'" ' C6 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.91 0 O4'-C1'-C2' 108.296 1.355 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.522 ' C6 ' " H2'" ' B' 1065 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C4'-C3' 104.292 -0.863 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C3'-C2'-O2' 111.101 -0.758 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . 0.421 ' C6 ' ' N7 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 C3'-C2'-O2' 111.017 -0.787 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.446 ' C4 ' ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C3'-C2'-O2' 110.544 -0.95 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C1'-C2'-O2' 108.356 -0.748 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.42 ' N3 ' " H2'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.967 0 O4'-C1'-C2' 107.751 0.965 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 O4'-C1'-C2' 107.661 0.901 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.446 ' N6 ' ' C4 ' ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 C3'-C2'-O2' 110.852 -0.844 . 0.299 5j . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.492 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 O4'-C4'-C3' 104.099 -1.001 . 0.252 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.638 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-C1' 100.562 -1.042 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.606 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C4'-C3' 104.045 -1.039 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.606 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 C3'-C2'-O2' 110.38 -1.007 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.044 0 O4'-C1'-C2' 107.719 0.942 . 0.294 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.045 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 OP1-P-O3' 110.193 0.873 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . 0.551 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.22 1.3 . 0.505 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.551 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 107.977 1.127 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.667 ' H6 ' " O5'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C3'-C2'-O2' 110.765 -0.874 . 0.096 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.56 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-O2' 110.792 -0.865 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 O4'-C1'-C2' 107.492 0.78 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . 0.48 " H1'" " O4'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C1'-C2' 107.816 1.012 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.616 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 108.178 1.27 . 0.258 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . 0.57 ' C6 ' ' C2 ' ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 108.458 1.47 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.045 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.731 0 N19-C1'-C2' 114.952 0.97 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.42 " H2'" ' N3 ' ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 O4'-C1'-C2' 108.049 1.178 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.068 0 C3'-C2'-C1' 100.609 -0.99 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C4'-C3'-C2' 103.794 1.094 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.483 ' C4 ' ' C6 ' ' B' 1093 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 O4'-C1'-C2' 108.633 1.595 . 0.246 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.483 ' C6 ' ' C4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 O4'-C1'-C2' 108.01 1.15 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.796 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.94 0 O4'-C4'-C3' 104.203 -0.926 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.538 ' N9 ' HG23 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.784 0 C3'-C2'-O2' 110.923 -0.82 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.501 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.909 0 O4'-C4'-C3' 103.65 -1.321 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.796 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.885 0 C3'-C2'-C1' 100.762 -0.82 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.53 ' C8 ' ' N7 ' ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C1'-C2' 108.313 1.366 . 0.088 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.53 ' N7 ' ' C8 ' ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 O4'-C4'-C3' 102.888 -1.866 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.016 0 O4'-C4'-C3' 104.329 -0.836 . 0.01 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.478 " H2'" ' C6 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.986 0 O4'-C4'-C3' 103.966 -1.096 . 0.475 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.634 ' H6 ' " O5'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.006 0 C3'-C2'-C1' 100.555 -1.05 . 0.452 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.594 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 100.644 -0.951 . 0.696 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.599 " O2'" " H5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C3'-C2'-C1' 100.659 -0.935 . 0.073 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.737 " H2'" " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 C3'-C2'-O2' 110.921 -0.82 . 0.227 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.737 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 O4'-C4'-C3' 103.452 -1.463 . 0.743 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.809 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 111.368 -0.666 . 0.208 &a . 10.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.809 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.761 0 O4'-C1'-C2' 108.219 1.3 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.67 HD12 ' N ' ' C' ' 2' ' ' ALA . 1.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 121.101 0.477 . . . . 10.0 110.808 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.67 ' N ' HD12 ' C' ' 1' ' ' ILE . . . -158.56 94.95 1.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.698 -0.683 . . . . 10.0 110.201 179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . 0.537 ' O ' ' SG ' ' C' ' 6' ' ' BB9 . . . -160.91 105.83 1.38 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 119.252 0.933 . . . . 10.0 109.949 178.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . . . . . . . . . . . 61.17 92.43 0.05 Allowed 'General case' 0 CA--C 1.451 -2.853 0 C-N-CA 120.344 -0.542 . . . . 10.0 110.553 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.904 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.538 HG23 ' N9 ' ' B' 1095 ' ' ' A' . 95.9 m -155.58 154.38 31.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 112.719 -2.037 . . . . 10.0 111.449 175.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . 0.652 ' HG1' ' HA ' ' A' ' 22' ' ' PRO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.491 ' HG1' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.57 -177.0 4.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 111.634 -2.53 . . . . 10.0 108.794 176.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.904 ' CB ' ' HN1' ' C' ' 6' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 119.396 0.998 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.409 ' HG3' ' H ' ' A' ' 60' ' ' VAL . 1.4 mm-40 . . . . . 0 N--CA 1.481 1.093 0 N-CA-C 109.98 -0.378 . . . . 10.0 109.98 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -139.58 142.11 33.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.091 0.472 . . . . 10.0 110.693 178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -131.74 131.58 43.13 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.143 -0.688 . . . . 10.0 109.143 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.0 mp -146.69 172.37 13.71 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.857 0.36 . . . . 10.0 111.022 -178.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -133.15 86.1 2.27 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.604 -0.887 . . . . 10.0 108.604 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.1 mp -88.6 155.68 50.73 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.299 -0.864 . . . . 10.0 111.141 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -80.54 127.03 6.3 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 122.538 2.158 . . . . 10.0 111.076 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.27 109.08 0.79 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.228 -0.442 . . . . 10.0 111.15 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.56 -13.52 22.9 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.844 -0.694 . . . . 10.0 112.978 179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 42.5 tptt -126.46 95.96 4.53 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.519 0.563 . . . . 10.0 112.519 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -138.05 104.15 5.15 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.667 -0.494 . . . . 10.0 109.667 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.598 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.4 OUTLIER 177.75 -35.04 0.0 OUTLIER Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 113.229 0.825 . . . . 10.0 113.229 -179.188 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.598 ' HD2' ' H ' ' A' ' 19' ' ' THR . 96.4 Cg_exo -47.3 117.43 2.27 Favored 'Trans proline' 0 C--N 1.369 1.656 0 C-N-CA 121.773 1.648 . . . . 10.0 112.895 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -61.85 -49.12 87.28 Favored Pre-proline 0 CA--C 1.537 0.448 0 N-CA-C 113.713 1.005 . . . . 10.0 113.713 -179.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' HD3' ' HB3' ' A' ' 21' ' ' ALA . 51.1 Cg_exo -51.27 -54.57 5.18 Favored 'Trans proline' 0 CA--C 1.545 1.057 0 C-N-CA 121.755 1.637 . . . . 10.0 114.609 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' CG ' ' HB2' ' A' ' 20' ' ' PRO . 43.2 Cg_endo -69.5 -52.36 0.35 Allowed 'Trans proline' 0 C--N 1.359 1.095 0 C-N-CA 121.415 1.41 . . . . 10.0 113.006 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.568 HG13 HD13 ' A' ' 28' ' ' LEU . 20.2 t -84.24 -93.52 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 -179.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.428 ' HA3' ' HD3' ' A' ' 26' ' ' PRO . . . 29.06 -110.99 0.03 OUTLIER Glycine 0 CA--C 1.526 0.729 0 N-CA-C 115.867 1.107 . . . . 10.0 115.867 178.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.428 ' HD3' ' HA3' ' A' ' 25' ' ' GLY . 38.6 Cg_exo -62.01 -34.86 79.47 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.668 2.912 . . . . 10.0 115.119 -178.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -48.87 -46.71 42.85 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 121.186 0.517 . . . . 10.0 111.379 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.568 HD13 HG13 ' A' ' 24' ' ' VAL . 7.2 mp -94.4 -25.7 16.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.215 179.327 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -62.69 -37.94 95.62 Favored Glycine 0 C--N 1.332 0.335 0 CA-C-N 116.023 -0.535 . . . . 10.0 112.323 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -64.68 -19.41 65.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.196 0.522 . . . . 10.0 110.776 179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -92.13 4.23 53.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.334 -0.394 . . . . 10.0 111.052 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 95.53 3.02 61.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 115.955 1.142 . . . . 10.0 115.955 177.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.67 169.3 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 CA-C-N 119.066 1.433 . . . . 10.0 111.504 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -102.73 -5.01 24.19 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.433 -0.349 . . . . 10.0 111.828 -179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.7 mt 66.41 -75.12 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 113.187 0.81 . . . . 10.0 113.187 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 44.5 ttm -53.03 -46.42 68.44 Favored 'General case' 0 N--CA 1.467 0.413 0 O-C-N 123.165 0.29 . . . . 10.0 111.717 -177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -59.97 -43.55 95.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.829 0.347 . . . . 10.0 111.137 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.76 -42.02 97.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.976 -0.556 . . . . 10.0 110.998 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.5 m -59.62 -49.11 79.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.74 -0.663 . . . . 10.0 111.602 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.02 -48.24 77.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.531 -0.304 . . . . 10.0 111.649 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -60.71 -50.12 74.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.57 -0.286 . . . . 10.0 111.718 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -60.97 -50.28 74.01 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.301 -0.409 . . . . 10.0 111.294 -179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -61.46 -33.83 74.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.785 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.43 -30.34 63.15 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 111.853 0.316 . . . . 10.0 111.853 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -85.55 -46.74 10.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.909 0.385 . . . . 10.0 111.652 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 32.2 p -79.23 8.06 6.62 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 113.567 0.951 . . . . 10.0 113.567 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.08 -25.95 68.61 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.184 0.516 . . . . 10.0 111.015 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -74.28 -14.2 60.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.847 -0.615 . . . . 10.0 111.882 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 26.7 tptt -127.36 26.57 5.98 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.088 0.471 . . . . 10.0 110.144 -179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.72 130.64 21.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.53 -0.759 . . . . 10.0 112.943 -179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.52 -15.22 38.6 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.71 -0.677 . . . . 10.0 112.45 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 43.9 ttm -109.99 144.94 37.81 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.698 0.285 . . . . 10.0 111.028 -179.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -82.41 127.91 39.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.087 -0.709 . . . . 10.0 109.087 178.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.405 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 39.9 mt -126.37 129.08 24.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 N-CA-C 111.786 0.291 . . . . 10.0 111.786 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 54' ' ' LEU . 27.3 Cg_exo -63.98 125.96 16.32 Favored 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.85 2.367 . . . . 10.0 111.479 178.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.2 119.34 61.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.828 -179.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.493 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 22.8 t -98.53 108.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 108.274 -1.01 . . . . 10.0 108.274 178.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 6.6 tt -108.23 123.73 64.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.459 0.647 . . . . 10.0 111.815 -178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -107.06 110.72 22.91 Favored 'General case' 0 N--CA 1.446 -0.659 0 CA-C-N 115.278 -0.874 . . . . 10.0 110.285 179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 ' H ' ' HG3' ' A' ' 8' ' ' GLN . 3.8 t -84.52 133.76 28.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.352 -0.386 . . . . 10.0 110.48 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -92.78 176.27 6.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.959 0.409 . . . . 10.0 110.706 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -77.36 -10.76 59.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.144 -0.48 . . . . 10.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -100.23 21.03 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.739 0.304 . . . . 10.0 111.443 -179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 15.6 tttm 72.0 -1.53 2.84 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.14 0.576 . . . . 10.0 111.683 179.182 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.53 166.26 17.36 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 109.225 -0.657 . . . . 10.0 109.225 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -149.83 164.37 35.53 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.02 0.438 . . . . 10.0 111.573 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.11 139.26 37.63 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.605 -0.887 . . . . 10.0 108.605 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 50.3 p90 -137.11 145.71 44.2 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 121.48 0.657 . . . . 10.0 111.384 -179.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.4 pt -126.86 148.29 31.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.869 0 CA-C-N 115.202 -0.908 . . . . 10.0 108.938 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.1 pt -96.0 161.5 2.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 110.026 -0.361 . . . . 10.0 110.026 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HG3' ' H ' ' A' ' 72' ' ' THR . 0.8 OUTLIER -114.59 171.35 7.69 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.698 -179.861 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 73' ' ' PRO . 0.0 OUTLIER -72.89 161.61 78.51 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.846 179.397 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.581 ' HD2' HG22 ' A' ' 72' ' ' THR . 10.0 Cg_endo -52.13 125.49 17.53 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.527 2.152 . . . . 10.0 111.841 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_exo -46.64 137.46 15.49 Favored 'Trans proline' 0 C--O 1.236 0.378 0 C-N-CA 123.408 2.739 . . . . 10.0 113.323 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 79' ' ' LEU . . . -58.15 -44.37 87.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.06 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.34 -34.82 59.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.247 -0.888 . . . . 10.0 111.39 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -77.18 -42.55 37.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.43 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.76 -46.2 89.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.072 -0.513 . . . . 10.0 110.656 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.523 HD12 HD13 ' A' ' 108' ' ' ILE . 9.8 mp -60.15 -38.84 84.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.549 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.463 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 94.4 mttt -74.31 -24.82 59.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 10.0 111.443 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -82.12 -37.45 26.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 110.145 -0.317 . . . . 10.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.0 -51.01 60.34 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.888 -0.596 . . . . 10.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -89.41 -155.55 0.36 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.737 -0.665 . . . . 10.0 110.146 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -80.0 125.62 7.03 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 109.964 -1.254 . . . . 10.0 109.964 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.779 HG23 ' H ' ' A' ' 86' ' ' GLU . 7.9 tt -89.68 -92.9 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 117.364 0.582 . . . . 10.0 110.96 -178.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.779 ' H ' HG23 ' A' ' 85' ' ' ILE . 0.3 OUTLIER 63.39 -71.98 0.05 Allowed 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 122.902 0.481 . . . . 10.0 111.376 -179.185 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttm -139.73 -78.52 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.765 -0.457 . . . . 10.0 109.765 179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 139.07 26.69 0.27 Allowed Glycine 0 CA--C 1.521 0.411 0 C-N-CA 119.517 -1.325 . . . . 10.0 115.061 178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 6.0 m 63.83 106.82 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.694 0 CA-C-N 117.464 0.632 . . . . 10.0 112.218 179.419 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.683 ' HB3' ' H21' ' B' 1063 ' ' ' G' . 11.5 m -59.3 -31.97 69.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.531 0.682 . . . . 10.0 110.353 178.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.459 ' HA ' ' HD3' ' A' ' 92' ' ' PRO . 2.7 mp0 -111.23 130.42 23.03 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.371 -0.831 . . . . 10.0 108.97 178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 91' ' ' GLU . 11.8 Cg_exo -71.01 -72.06 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.75 2.3 . . . . 10.0 115.072 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -81.41 11.53 4.4 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 111.94 0.348 . . . . 10.0 111.94 -177.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.532 ' O ' ' HB3' ' A' ' 95' ' ' LYS . 1.3 mtp-105 -133.43 113.52 12.63 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 108.462 -0.94 . . . . 10.0 108.462 179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.532 ' HB3' ' O ' ' A' ' 94' ' ' ARG . 22.2 tptp 89.78 109.78 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.324 1.015 . . . . 10.0 111.844 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' HB ' ' OE2' ' A' ' 138' ' ' GLU . 34.8 pt -72.27 172.54 0.99 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.337 0 CA-C-N 115.234 -0.894 . . . . 10.0 111.168 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 11.0 p -155.8 -27.57 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 113.437 0.903 . . . . 10.0 113.437 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -164.32 135.17 3.63 Favored Glycine 0 C--O 1.225 -0.435 0 C-N-CA 119.535 -1.317 . . . . 10.0 112.894 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.493 ' HA ' ' HG2' ' A' ' 138' ' ' GLU . 1.0 OUTLIER -91.87 123.14 35.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.663 0.268 . . . . 10.0 110.633 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 8.3 p -110.93 148.72 14.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 10.0 110.442 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 21.9 p -108.13 162.84 13.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.402 -0.363 . . . . 10.0 110.45 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -39.59 84.81 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 112.275 0.472 . . . . 10.0 112.275 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -65.82 -31.69 72.79 Favored 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 120.777 -0.369 . . . . 10.0 110.572 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -68.38 -41.61 80.32 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.969 -0.752 . . . . 10.0 108.969 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 88.0 mt -64.17 -47.61 89.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.128 -0.942 . . . . 10.0 110.604 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -61.25 -42.17 98.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.403 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.22 -44.89 88.41 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.563 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.523 HD13 HD12 ' A' ' 79' ' ' LEU . 65.2 mt -75.48 -35.96 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.794 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.94 -38.95 93.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.121 0.486 . . . . 10.0 110.28 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -71.68 -24.96 61.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.648 -0.705 . . . . 10.0 110.248 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 98.3 m -66.43 -51.43 56.97 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.936 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.448 ' O ' ' HG ' ' A' ' 116' ' ' LEU . 9.3 ptmm? -107.1 32.35 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.591 0.71 . . . . 10.0 111.361 -178.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.642 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 8.5 tmm? -62.76 -42.23 77.12 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 115.841 -0.618 . . . . 10.0 111.935 179.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 113' ' ' MET . 12.6 Cg_endo -56.74 -19.09 29.34 Favored 'Trans proline' 0 C--N 1.363 1.303 0 C-N-CA 122.447 2.098 . . . . 10.0 113.765 179.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -107.79 11.31 28.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.129 0.49 . . . . 10.0 110.563 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 112' ' ' LYS . 96.1 mt -112.54 139.08 48.43 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.737 -0.665 . . . . 10.0 109.614 178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -88.5 21.39 2.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.296 0.569 . . . . 10.0 110.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -65.07 130.86 44.9 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.932 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -74.16 -38.45 63.7 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.436 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -129.12 166.15 19.86 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.424 -0.807 . . . . 10.0 110.496 -179.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 53.6 mt -62.2 -37.43 85.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.61 0.243 . . . . 10.0 110.707 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -63.34 -33.24 75.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.227 -0.442 . . . . 10.0 110.328 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -68.78 -41.02 79.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.166 0.508 . . . . 10.0 109.654 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.48 ' HA ' HD12 ' A' ' 127' ' ' ILE . . . -68.28 -30.46 69.47 Favored 'General case' 0 CA--C 1.52 -0.177 0 CA-C-N 115.869 -0.605 . . . . 10.0 109.836 179.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 26.6 ttm -66.08 -37.22 85.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.97 -1.014 . . . . 10.0 110.294 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 41.7 tptt -72.21 -37.97 69.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.095 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.48 HD12 ' HA ' ' A' ' 124' ' ' ALA . 97.1 mt -52.09 -55.8 8.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.438 -0.346 . . . . 10.0 111.371 179.547 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -63.58 -31.82 54.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-O 120.808 0.337 . . . . 10.0 111.136 179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.87 -35.16 72.53 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.281 0.562 . . . . 10.0 110.232 179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -70.48 -43.93 59.91 Favored Glycine 0 N--CA 1.447 -0.606 0 CA-C-N 115.552 -0.749 . . . . 10.0 112.098 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -34.18 77.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.069 0.461 . . . . 10.0 110.3 179.455 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.6 -53.83 51.03 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.037 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -65.13 -13.09 57.26 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 115.708 -0.678 . . . . 10.0 111.801 -179.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 92' ' ' PRO . 58.8 m -82.55 -29.85 30.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 10.0 110.761 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 3.3 mmt -117.34 44.92 2.01 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.156 0.503 . . . . 10.0 109.844 179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 78.7 -110.62 3.08 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 109.967 -1.253 . . . . 10.0 109.967 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 19.7 mt 36.34 80.69 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.471 0 C-N-CA 123.822 0.849 . . . . 10.0 112.794 177.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.493 ' HG2' ' HA ' ' A' ' 99' ' ' LYS . 5.3 pm0 -64.89 125.82 26.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.435 -0.802 . . . . 10.0 111.383 -179.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 9.0 m -79.98 125.64 39.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.528 -0.76 . . . . 10.0 111.141 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 2.5 t 57.2 38.99 0.26 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.549 -0.751 . . . . 10.0 110.988 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 20.0 t0 . . . . . 0 C--O 1.249 1.068 0 CA-C-N 115.189 -0.914 . . . . 10.0 111.571 179.309 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.912 0 C3'-C2'-O2' 110.874 -0.837 . 0.0 '__' . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.694 ' H6 ' " O5'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C4'-C3' 104.022 -1.056 . 0.231 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.726 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.026 0 O4'-C4'-C3' 103.554 -1.39 . 0.944 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.726 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.07 0 C3'-C2'-O2' 110.867 -0.839 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 C3'-C2'-O2' 110.88 -0.835 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C1'-C2' 108.045 1.175 . 0.234 3a . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.615 ' H6 ' " O5'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.953 0 C3'-C2'-O2' 110.971 -0.803 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . 0.43 " H5'" " H2'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.442 -0.945 0 O4'-C4'-C3' 103.156 -1.674 . 0.308 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.664 " H1'" " O5'" ' B' 1061 ' ' ' U' . . . . . . . . 0 C3'--C2' 1.535 0.943 0 C4'-C3'-C2' 105.385 2.685 OUTLIER-EPSILON 0.0 OUTLIER delta 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.664 " O5'" " H1'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 O4'-C4'-C3' 103.03 -1.764 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.616 " H2'" ' C8 ' ' B' 1063 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.843 0 C3'-C2'-C1' 102.836 1.485 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.683 ' H21' ' HB3' ' A' ' 90' ' ' SER . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.843 -0.73 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.481 " H5'" " C2'" ' B' 1063 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.441 -1.041 0 O4'-C4'-C3' 102.523 -2.126 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 107.797 0.998 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.476 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C3'-C2'-O2' 110.317 -1.029 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.425 H5'' " C3'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-O2' 110.514 -0.961 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 C1'-C2'-O2' 108.453 -0.716 . 0.058 7r . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C3'-C2'-C1' 100.73 -0.856 . 0.058 2[ . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C1'-C2'-O2' 108.289 -0.77 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . 0.521 ' N3 ' " H2'" ' B' 1071 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 110.598 -0.932 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.733 ' H6 ' " O5'" ' B' 1072 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -1.008 0 O4'-C1'-C2' 107.635 0.882 . 0.026 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.547 -0.949 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.744 ' N3 ' " H2'" ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.952 0 C3'-C2'-O2' 110.692 -0.899 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.531 0.808 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.429 " H2'" " O4'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.969 0 O4'-C1'-C2' 108.218 1.299 . 0.213 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.429 " O4'" " H2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.966 0 O4'-C4'-C3' 104.0 -1.072 . 0.691 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.656 ' O2 ' " H3'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.423 -1.047 0 O4'-C1'-C2' 108.057 1.184 OUTLIER-EPSILON 0.125 1a . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 0.941 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 OP1-P-O3' 110.044 0.826 . 0.0 OUTLIER epsilon-1 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 103.372 -1.52 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 O4'-C4'-C3' 103.936 -1.117 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.596 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.9 0 O4'-C1'-C2' 107.609 0.864 . 0.543 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.596 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.027 0 C3'-C2'-O2' 110.63 -0.921 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.557 -1.388 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.422 -1.103 0 O4'-C1'-C2' 108.317 1.37 . 0.467 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.559 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C4'-C3' 103.436 -1.474 . 0.45 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . 0.525 " H2'" " O4'" ' B' 1089 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 O4'-C1'-C2' 108.355 1.397 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 0.941 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.538 1.203 0 C4'-C3'-C2' 105.607 2.907 OUTLIER-DELTA 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.525 " O4'" " H2'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.502 -1.109 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.057 0 O4'-C4'-C3' 103.673 -1.305 . 0.131 4g . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.835 0 O4'-C4'-C3' 103.831 -1.192 . 0.158 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.661 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.85 0 C3'-C2'-C1' 100.806 -0.771 . 0.198 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.658 " O4'" " H2'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-O2' 110.565 -0.943 . 0.729 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.912 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.806 0 N19-C1'-C2' 115.71 1.444 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.492 ' C6 ' HG22 ' C' ' 7' ' ' THR . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-O2' 110.973 -0.802 . 0.283 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.526 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 100.634 -0.962 . 0.013 1f . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.912 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 100.313 -1.319 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.737 " O4'" " H2'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 OP1-P-O3' 109.876 0.774 . 0.175 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.715 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 103.299 -1.572 . 0.257 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.715 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 104.077 -1.016 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.582 " H2'" " O4'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 100.238 -1.403 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.596 " O2'" " H5'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.67 0.907 . 0.161 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.596 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C1'-C2' 107.991 1.136 . 0.207 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.651 " O2'" " H5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C3'-C2'-C1' 100.281 -1.354 . 0.222 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.651 " H5'" " O2'" ' B' 1104 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.049 0 C3'-C2'-O2' 110.981 -0.8 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.491 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.114 0 O4'-C4'-C3' 103.074 -1.733 . 0.479 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.416 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-O2' 110.569 -0.942 . 0.699 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.416 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -1.003 0 O4'-C4'-C3' 103.137 -1.688 . 0.226 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.494 HG13 ' N ' ' C' ' 2' ' ' ALA . 17.9 pt . . . . . 0 N--CA 1.488 1.438 0 CA-C-O 120.812 0.339 . . . . 10.0 110.934 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.494 ' N ' HG13 ' C' ' 1' ' ' ILE . . . -139.65 109.99 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.642 179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -119.86 124.69 46.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 119.393 0.997 . . . . 10.0 110.729 176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.766 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 74.07 102.31 0.07 Allowed 'General case' 0 CA--C 1.443 -3.137 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.588 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.572 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.539 ' O ' ' SG ' ' C' ' 13' ' ' BB9 . 29.5 p -157.92 146.73 19.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 111.91 -2.405 . . . . 10.0 110.68 -177.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 27.9 p -137.02 -162.47 1.29 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 113.277 -1.783 . . . . 10.0 110.592 179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.766 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . 0.406 ' HN1' ' H2 ' ' C' ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . 0.406 ' H2 ' ' HN1' ' C' ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 119.591 1.087 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.567 -0.531 . . . . 10.0 109.567 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.09 140.48 45.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.802 0.334 . . . . 10.0 111.153 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.82 146.78 40.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.765 -0.652 . . . . 10.0 109.99 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.0 tp -163.56 162.51 24.48 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 110.045 -0.354 . . . . 10.0 110.045 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.515 HE21 " H2'" ' B' 1061 ' ' ' U' . 3.8 pt20 -139.51 95.91 3.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.496 0.665 . . . . 10.0 109.227 179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.9 mt -100.18 153.33 37.81 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 114.988 -1.006 . . . . 10.0 111.376 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -70.3 135.79 30.01 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 122.323 2.015 . . . . 10.0 111.076 178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.18 97.66 0.19 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.885 -0.598 . . . . 10.0 112.121 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 126.77 -28.54 4.64 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.698 -0.683 . . . . 10.0 113.166 178.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -116.97 108.54 15.9 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.77 0.656 . . . . 10.0 112.77 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.748 ' O ' ' HB2' ' A' ' 39' ' ' CYS . . . -151.36 94.8 2.07 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.898 -0.778 . . . . 10.0 108.898 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.513 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 0.6 OUTLIER -160.47 -51.44 0.01 OUTLIER Pre-proline 0 CA--C 1.54 0.586 0 N-CA-C 112.111 0.412 . . . . 10.0 112.111 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.513 ' HD2' ' H ' ' A' ' 19' ' ' THR . 80.5 Cg_exo -49.03 139.19 26.57 Favored 'Trans proline' 0 C--N 1.362 1.277 0 C-N-CA 122.472 2.115 . . . . 10.0 113.174 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.443 ' HB3' ' HD3' ' A' ' 22' ' ' PRO . . . -63.47 -51.8 64.69 Favored Pre-proline 0 CA--C 1.539 0.53 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -179.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.483 ' HB2' ' HD3' ' A' ' 23' ' ' PRO . 71.3 Cg_exo -43.45 -53.84 4.02 Favored 'Trans proline' 0 CA--C 1.549 1.258 0 C-N-CA 122.333 2.022 . . . . 10.0 116.01 -177.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' HD3' ' HB2' ' A' ' 22' ' ' PRO . 71.9 Cg_endo -75.16 -32.31 5.31 Favored 'Trans proline' 0 C--N 1.356 0.96 0 C-N-CA 121.503 1.469 . . . . 10.0 115.606 -177.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.3 p -122.84 -54.19 2.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 114.011 1.115 . . . . 10.0 114.011 -178.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -17.52 -87.39 0.01 OUTLIER Glycine 0 N--CA 1.47 0.932 0 N-CA-C 116.489 1.356 . . . . 10.0 116.489 -178.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.627 ' HB3' ' H61' ' B' 1095 ' ' ' A' . 50.8 Cg_exo -54.27 -52.85 7.32 Favored 'Trans proline' 0 N--CA 1.474 0.356 0 C-N-CA 123.352 2.702 . . . . 10.0 114.536 -178.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.97 -53.52 2.94 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.083 0.772 . . . . 10.0 113.083 -177.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.5 mt -91.42 -29.6 16.97 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.759 -0.376 . . . . 10.0 111.463 -178.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.408 ' O ' H141 ' C' ' 0' ' ' QUA . . . -59.46 -37.54 92.22 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.944 -0.646 . . . . 10.0 113.051 -178.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -62.38 -13.92 34.58 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 111.781 0.289 . . . . 10.0 111.781 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -99.68 8.89 43.97 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.275 0.56 . . . . 10.0 110.294 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.55 25.43 63.11 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.767 -0.651 . . . . 10.0 113.535 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.629 HG22 HG11 ' A' ' 60' ' ' VAL . 39.8 t -84.05 136.29 23.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 120.937 0.399 . . . . 10.0 111.826 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.558 ' ND2' ' HB2' ' A' ' 37' ' ' GLU . 56.4 t30 -79.53 89.33 5.07 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.213 -0.662 . . . . 10.0 109.213 178.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 9.5 pt -48.42 -44.79 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.825 1.046 . . . . 10.0 113.825 -178.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.437 ' HG2' ' OD1' ' A' ' 34' ' ' ASN . 23.1 ptp -62.78 -36.47 83.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.71 0.29 . . . . 10.0 111.536 -178.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.558 ' HB2' ' ND2' ' A' ' 34' ' ' ASN . 31.9 tt0 -73.2 -41.28 63.99 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.232 0.539 . . . . 10.0 110.26 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -66.49 -44.3 83.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.578 -0.737 . . . . 10.0 111.694 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.748 ' HB2' ' O ' ' A' ' 18' ' ' ALA . 12.5 p -60.19 -40.76 91.14 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.404 0.52 . . . . 10.0 112.404 -178.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.6 tttm -75.9 -44.8 38.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.697 0.284 . . . . 10.0 110.969 -179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.1 ttm180 -60.35 -45.92 91.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.207 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -63.57 -48.54 77.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -56.27 -41.26 75.54 Favored 'General case' 0 N--CA 1.464 0.275 0 N-CA-C 112.325 0.491 . . . . 10.0 112.325 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.72 -31.52 68.39 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.586 0.587 . . . . 10.0 112.586 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -87.18 -32.57 19.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.942 0.401 . . . . 10.0 111.778 -179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.3 t -87.62 -0.49 56.94 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.42 0.526 . . . . 10.0 112.42 -178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.35 -21.18 65.1 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.212 0.53 . . . . 10.0 110.911 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.1 -27.79 66.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.312 -0.858 . . . . 10.0 111.064 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -122.54 27.42 7.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.321 -0.399 . . . . 10.0 110.713 -179.298 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -49.64 123.9 8.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.76 -0.655 . . . . 10.0 111.635 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 118.16 -20.2 10.64 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.699 -0.762 . . . . 10.0 112.115 -179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 50.9 mtt -101.72 176.75 5.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.111 0.481 . . . . 10.0 110.767 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.0 mp -123.42 118.39 54.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 107.562 -1.273 . . . . 10.0 107.562 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 90.8 mt -128.27 136.65 29.38 Favored Pre-proline 0 C--N 1.323 -0.56 0 C-N-CA 120.569 -0.452 . . . . 10.0 112.025 -177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 57.6 Cg_endo -73.29 137.79 26.47 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.593 2.195 . . . . 10.0 111.521 178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.44 140.06 49.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.027 0.441 . . . . 10.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.489 ' O ' ' HA ' ' A' ' 68' ' ' PHE . 88.5 t -98.3 111.13 27.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 N-CA-C 109.181 -0.674 . . . . 10.0 109.181 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 2.0 mt -99.34 113.47 34.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.125 0.488 . . . . 10.0 110.895 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -102.04 111.73 24.12 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.063 -0.517 . . . . 10.0 109.621 179.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.629 HG11 HG22 ' A' ' 33' ' ' VAL . 27.4 m -105.63 155.68 6.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.421 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -116.46 179.39 4.01 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.357 -0.608 . . . . 10.0 109.357 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -74.44 -31.51 62.3 Favored 'General case' 0 C--N 1.322 -0.616 0 C-N-CA 120.737 -0.385 . . . . 10.0 110.76 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -92.86 51.51 1.71 Allowed 'General case' 0 CA--C 1.512 -0.492 0 CA-C-O 121.005 0.431 . . . . 10.0 110.343 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.2 mtpp 53.07 -146.97 0.5 Allowed 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.606 -0.887 . . . . 10.0 108.606 -178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.8 m 63.14 161.17 0.09 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.18 0.514 . . . . 10.0 110.614 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 46.8 p90 -164.17 162.74 22.93 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.455 0.645 . . . . 10.0 111.62 -179.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 135.15 31.55 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.906 -1.043 . . . . 10.0 108.435 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.489 ' HA ' ' O ' ' A' ' 57' ' ' VAL . 5.7 p90 -132.64 152.41 51.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.033 0.444 . . . . 10.0 111.618 -178.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.5 pt -125.14 147.76 29.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.469 -0.787 . . . . 10.0 109.872 178.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.434 HG13 ' N ' ' A' ' 71' ' ' LYS . 7.9 tp -95.48 161.99 2.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 116.012 -0.54 . . . . 10.0 109.752 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.434 ' N ' HG13 ' A' ' 70' ' ' ILE . 14.9 mmmt -129.47 -172.6 2.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.861 0.362 . . . . 10.0 110.603 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -103.94 159.66 28.58 Favored Pre-proline 0 C--N 1.323 -0.586 0 N-CA-C 109.653 -0.499 . . . . 10.0 109.653 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.413 ' HB2' HD21 ' A' ' 78' ' ' LEU . 74.7 Cg_exo -50.43 116.53 2.57 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.681 2.254 . . . . 10.0 112.679 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -57.87 155.44 32.9 Favored 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 123.142 2.561 . . . . 10.0 112.869 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.35 -45.06 72.66 Favored 'General case' 0 N--CA 1.461 0.109 0 CA-C-N 115.811 -0.631 . . . . 10.0 111.834 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -53.39 -43.97 68.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.104 -0.498 . . . . 10.0 111.761 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -68.88 -35.06 76.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.436 -0.347 . . . . 10.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.413 HD21 ' HB2' ' A' ' 73' ' ' PRO . 89.1 mt -68.69 -42.58 77.6 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.715 -0.476 . . . . 10.0 109.715 179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 5.4 mp -65.3 -35.36 80.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.634 -0.712 . . . . 10.0 110.761 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 6.5 tttt -66.01 -27.73 68.35 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.728 -0.669 . . . . 10.0 110.482 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.417 ' HA ' HG12 ' A' ' 85' ' ' ILE . 54.1 tttm -90.05 -13.74 35.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.74 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.27 -43.85 17.02 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.127 -0.488 . . . . 10.0 112.225 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -138.24 91.73 2.59 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 113.581 0.956 . . . . 10.0 113.581 -178.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.77 101.93 0.05 OUTLIER Glycine 0 N--CA 1.445 -0.765 0 CA-C-N 115.606 -0.725 . . . . 10.0 113.581 178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.422 ' HB ' ' H ' ' A' ' 86' ' ' GLU . 1.6 mt -87.9 -126.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 N-CA-C 108.815 -0.809 . . . . 10.0 108.815 179.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.422 ' H ' ' HB ' ' A' ' 85' ' ' ILE . 22.4 mt-10 65.04 -74.24 0.05 Allowed 'General case' 0 CA--C 1.531 0.231 0 C-N-CA 122.942 0.497 . . . . 10.0 111.105 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.466 ' HD2' ' OP1' ' B' 1064 ' ' ' C' . 26.2 mmtp -130.22 -131.32 0.21 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.572 -0.899 . . . . 10.0 108.572 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -171.67 33.18 0.14 Allowed Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.043 -1.075 . . . . 10.0 113.116 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.502 ' OG ' ' HB ' ' A' ' 97' ' ' VAL . 1.5 m 67.61 111.52 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 122.87 0.468 . . . . 10.0 111.258 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.25 -42.95 74.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.22 0.534 . . . . 10.0 110.134 178.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.492 ' CB ' ' HB3' ' A' ' 94' ' ' ARG . 1.4 mp0 -113.99 103.15 55.27 Favored Pre-proline 0 C--N 1.322 -0.617 0 CA-C-N 115.987 -0.552 . . . . 10.0 109.555 178.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -47.3 -79.96 0.02 OUTLIER 'Trans proline' 0 CA--C 1.534 0.495 0 C-N-CA 124.352 3.368 . . . . 10.0 115.881 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 63.8 tttt -80.28 14.12 2.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.946 0.403 . . . . 10.0 111.702 -177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.492 ' HB3' ' CB ' ' A' ' 91' ' ' GLU . 14.9 ttp180 -110.26 -39.24 5.04 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.803 -0.359 . . . . 10.0 110.656 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' O ' ' HB ' ' A' ' 96' ' ' ILE . 30.2 mmtp -99.32 -128.24 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.43 -0.35 . . . . 10.0 111.105 -179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.466 ' HB ' ' O ' ' A' ' 95' ' ' LYS . 7.6 tp 170.34 140.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.342 -0.614 . . . . 10.0 109.342 -178.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.502 ' HB ' ' OG ' ' A' ' 89' ' ' SER . 11.1 p -127.22 -28.21 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 120.961 0.41 . . . . 10.0 110.553 179.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 175.54 176.37 43.74 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.841 -0.695 . . . . 10.0 111.769 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 28.2 ttmt -128.33 137.93 52.15 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.103 -0.332 . . . . 10.0 110.103 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.3 m -111.59 160.21 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.208 -0.451 . . . . 10.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 3.3 p -108.11 163.7 12.93 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.856 -0.611 . . . . 10.0 110.304 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 102' ' ' ARG . 29.4 ttm105 -56.74 -42.01 78.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.873 0.368 . . . . 10.0 110.89 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 11.9 ptmt -62.55 -33.08 74.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.786 -0.643 . . . . 10.0 111.217 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -72.4 -38.93 68.3 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.822 0.344 . . . . 10.0 110.188 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.2 mm -64.52 -43.04 96.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.063 178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -62.04 -36.26 81.07 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.767 -0.652 . . . . 10.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -63.31 -43.13 98.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 10.0 111.41 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 1.4 mp -73.93 -39.73 51.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 N-CA-C 110.043 -0.355 . . . . 10.0 110.043 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -61.08 -38.24 85.55 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.339 0.59 . . . . 10.0 110.079 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -70.23 -27.92 64.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.233 179.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 91.9 m -75.54 -45.05 40.25 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.394 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -96.03 28.2 3.27 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 121.054 0.454 . . . . 10.0 110.276 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 42.9 ttm -65.24 -54.45 32.58 Favored Pre-proline 0 CA--C 1.539 0.545 0 N-CA-C 112.53 0.567 . . . . 10.0 112.53 -179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.31 -2.76 10.41 Favored 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 122.034 1.823 . . . . 10.0 112.847 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -115.92 15.32 16.26 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.56 0.695 . . . . 10.0 109.964 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.453 ' HG ' ' H ' ' A' ' 118' ' ' ALA . 11.3 tp -118.38 154.0 33.12 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.762 -0.654 . . . . 10.0 110.238 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -90.49 -9.97 45.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.325 -0.398 . . . . 10.0 110.784 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.453 ' H ' ' HG ' ' A' ' 116' ' ' LEU . . . -61.23 146.75 46.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.877 -0.601 . . . . 10.0 111.668 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -100.35 -47.88 4.77 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.995 -0.548 . . . . 10.0 109.956 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -90.76 155.17 19.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.859 -0.609 . . . . 10.0 111.413 -179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.64 -42.32 98.16 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.892 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -62.28 -29.63 70.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.155 0.502 . . . . 10.0 110.594 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -69.76 -40.4 76.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.901 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 128' ' ' ILE . . . -69.8 -33.12 71.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.533 0.682 . . . . 10.0 109.999 179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . . . . . . . . . 41.7 ttm -66.33 -37.33 85.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.196 -0.911 . . . . 10.0 110.376 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.576 ' O ' ' HG2' ' A' ' 129' ' ' GLU . 4.2 mtpp -68.01 -43.43 78.83 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.346 0.869 . . . . 10.0 113.346 -178.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.428 HG21 HD21 ' A' ' 116' ' ' LEU . 3.1 tt -61.68 -36.79 75.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 C-N-CA 119.89 -0.724 . . . . 10.0 111.401 -179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.494 HG12 ' O ' ' A' ' 124' ' ' ALA . 34.6 mm -67.04 -42.83 89.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.987 -0.285 . . . . 10.0 111.488 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.576 ' HG2' ' O ' ' A' ' 126' ' ' LYS . 10.1 pt-20 -65.0 -25.03 67.69 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.05 0.453 . . . . 10.0 110.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . 0.494 ' O ' ' HG2' ' A' ' 133' ' ' LYS . . . -67.33 -49.83 49.13 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.347 -0.701 . . . . 10.0 111.347 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.52 -35.23 80.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.069 0.462 . . . . 10.0 110.065 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -57.18 -54.15 50.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.456 -0.793 . . . . 10.0 110.818 179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 130' ' ' GLY . 0.3 OUTLIER -65.11 -18.67 65.5 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 115.879 -0.6 . . . . 10.0 111.86 -179.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 16.0 m -77.13 -26.98 53.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.697 0.284 . . . . 10.0 110.765 -179.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 11.8 ptm -118.0 37.43 3.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.65 0.738 . . . . 10.0 109.849 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 88.17 -112.44 3.89 Favored Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 109.761 -1.336 . . . . 10.0 109.761 -178.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.475 ' H ' HG12 ' A' ' 97' ' ' VAL . 37.4 mt 34.22 90.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 N-CA-C 113.545 0.943 . . . . 10.0 113.545 177.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.47 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 6.0 m -84.31 153.76 3.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 116.112 -0.495 . . . . 10.0 110.736 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 13.0 p -71.92 -33.77 48.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.494 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.148 -0.929 . . . . 10.0 109.757 179.67 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . 0.515 ' N3 ' " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 C3'-C2'-C1' 100.705 -0.883 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C3'-C2'-O2' 110.881 -0.834 . 0.0 OUTLIER '7D dist 1L' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C1'-C2' 107.961 1.115 . 0.104 1m . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 103.011 -1.778 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 O4'-C1'-C2' 108.211 1.294 . 0.743 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . 0.494 " O3'" ' H8 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C4'-C3' 103.772 -1.234 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.494 ' H8 ' " O3'" ' B' 1056 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 O4'-C1'-C2' 108.37 1.407 . 0.028 9a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 O4'-C1'-C2' 108.07 1.193 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 C3'-C2'-O2' 110.533 -0.954 . 0.29 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 C3'-C2'-C1' 100.645 -0.95 . 0.47 5z . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.515 " H2'" HE21 ' A' ' 12' ' ' GLN . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 OP1-P-O3' 110.601 1.0 . 0.083 6p . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.842 " O5'" ' H5 ' ' B' 1064 ' ' ' C' . . . . . . . . 0 C3'--C2' 1.539 1.284 0 C4'-C3'-C2' 105.521 2.821 OUTLIER-DELTA 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C4'-C3'-C2' 103.963 1.263 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . 0.842 ' H5 ' " O5'" ' B' 1062 ' ' ' G' . . . . . . . . 0 O4'--C1' 1.4 -1.127 0 C4'-C3'-C2' 104.528 1.828 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . 0.623 " H2'" " O4'" ' B' 1066 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.004 0 C4'-C3'-C2' 104.17 1.47 . 0.0 OUTLIER '7D dist 2a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . 0.73 ' O2 ' " H2'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 O4'-C1'-C2' 108.198 1.284 . 0.137 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.556 " H2'" " O4'" ' B' 1068 ' ' ' G' . . . . . . . . 0 O4'--C4' 1.44 -1.066 0 C3'-C2'-C1' 103.415 2.128 . 0.111 1g . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . 0.556 " O4'" " H2'" ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 103.784 1.084 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.73 " H2'" ' O2 ' ' B' 1066 ' ' ' U' . . . . . . . . 0 O4'--C1' 1.402 -1.023 0 C4'-C3'-C2' 104.454 1.754 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . 0.861 " O2'" " H4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 C1'-C2'-O2' 108.114 -0.829 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 C4'-C3'-C2' 103.872 1.172 OUTLIER-DELTA 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.406 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 O4'-C1'-C2' 107.668 0.906 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-O2' 110.412 -0.996 . 0.475 5j . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.419 " O5'" ' H8 ' ' B' 1074 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.985 0 C1'-C2'-O2' 108.09 -0.837 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C4'-C3' 104.212 -0.92 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.521 ' H6 ' " O5'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.979 0 C3'-C2'-C1' 100.571 -1.032 . 0.347 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C3'-C2'-O2' 110.788 -0.866 . 0.256 1f . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.81 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.98 1.129 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.027 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.471 -0.735 . 0.118 5n . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . 0.546 " H2'" " O4'" ' B' 1081 ' ' ' U' . . . . . . . . 0 O4'--C4' 1.444 -0.771 0 O4'-C4'-C3' 103.446 -1.467 . 0.089 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.546 " O4'" " H2'" ' B' 1080 ' ' ' A' . . . . . . . . 0 O4'--C4' 1.441 -1.012 0 C3'-C2'-C1' 103.012 1.68 . 0.031 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.028 0 O4'-C1'-C2' 108.007 1.148 . 0.085 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.505 " H2'" ' N7 ' ' B' 1085 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 O4'-C1'-C2' 107.628 0.877 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . 0.821 ' N3 ' " H5'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.852 0 C3'-C2'-O2' 110.586 -0.936 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . 0.505 ' N7 ' " H2'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 103.778 -1.23 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.804 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 C3'-C2'-O2' 110.92 -0.821 . 0.141 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 O4'-C1'-C2' 108.256 1.326 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.027 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.75 0 C4'-C3'-C2' 103.912 1.212 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.936 0 C3'-C2'-O2' 110.567 -0.943 . 0.266 0b . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 1.041 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 C3'-C2'-O2' 110.75 -0.879 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 1.041 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.877 0 C3'-C2'-C1' 100.245 -1.394 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.597 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 C3'-C2'-O2' 110.85 -0.845 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.47 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.954 0 C3'-C2'-O2' 111.06 -0.772 . 0.01 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.757 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 N19-C1'-C2' 115.831 1.519 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.676 ' H8 ' " O5'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 104.078 1.378 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.629 " H2'" " O4'" ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C3'-C2'-C1' 99.891 -1.788 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.861 " H4'" " O2'" ' B' 1070 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-O2' 110.959 -0.807 . 0.311 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . 0.679 " H2'" " O4'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.753 0 O4'-C1'-C2' 108.717 1.655 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.679 " O4'" " H2'" ' B' 1098 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C4'-C3' 103.651 -1.321 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.423 -1.065 0 O4'-C4'-C3' 103.901 -1.142 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 O4'-C4'-C3' 104.025 -1.054 . 0.026 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.718 ' H6 ' " O5'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C3'-C2'-C1' 100.411 -1.21 . 0.012 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.568 " H5'" " O2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.078 0 O4'-C4'-C3' 103.6 -1.357 . 0.704 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 100.517 -1.092 . 0.628 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.423 ' H6 ' " O5'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-O2' 110.993 -0.796 . 0.52 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.821 " H5'" ' N3 ' ' B' 1084 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 100.363 -1.263 . 0.028 1m . 10.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.538 " O4'" " H2'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.025 0 O4'-C4'-C3' 102.825 -1.911 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 O4'-C4'-C3' 103.701 -1.285 . 0.378 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.574 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . . . . . . . . . 35.0 pt . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.701 0.286 . . . . 10.0 111.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.482 ' O ' ' O ' ' C' ' 3' ' ' DHA . . . -131.63 -86.97 0.48 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.096 177.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . 0.482 ' O ' ' O ' ' C' ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.15 126.92 38.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 118.849 0.749 . . . . 10.0 110.49 177.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.687 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 73.45 96.81 0.07 Allowed 'General case' 0 CA--C 1.446 -3.029 0 C-N-CA 120.569 -0.453 . . . . 10.0 111.186 -178.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.64 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.881 HG22 ' H ' ' C' ' 9' ' ' DCY . 43.9 m -164.44 153.16 12.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.72 -2.036 . . . . 10.0 112.081 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . 0.433 ' N ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . 0.881 ' H ' HG22 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.555 ' OG3' HG21 ' C' ' 7' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . 0.481 ' N ' HG23 ' C' ' 10' ' ' TS9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 39.7 p -129.59 -163.37 1.29 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 113.512 -1.676 . . . . 10.0 110.493 -178.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.687 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 119.689 1.131 . . . . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.479 0.995 0 CA-C-O 120.823 0.344 . . . . 10.0 110.659 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -124.7 139.03 52.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 10.0 110.695 179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 pttt -117.6 117.8 30.39 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.138 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -127.95 161.14 29.8 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 110.175 -0.306 . . . . 10.0 110.175 -179.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' OE1' ' HG3' ' A' ' 74' ' ' PRO . 6.6 tt0 -138.78 96.29 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.064 -0.717 . . . . 10.0 109.064 179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 62.1 mt -114.96 150.22 43.8 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.619 -0.719 . . . . 10.0 111.883 -178.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -68.87 142.14 51.05 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.614 2.209 . . . . 10.0 111.856 178.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.82 93.25 0.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.852 -0.613 . . . . 10.0 111.888 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 130.57 -16.84 5.34 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.601 -0.809 . . . . 10.0 113.398 178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 45.9 mttp -130.12 108.39 10.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 117.309 0.555 . . . . 10.0 111.884 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -153.13 89.91 1.4 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.273 -0.422 . . . . 10.0 110.632 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.676 ' H ' ' HD2' ' A' ' 20' ' ' PRO . 22.2 m -155.87 -47.53 0.01 OUTLIER Pre-proline 0 CA--C 1.542 0.641 0 N-CA-C 112.548 0.573 . . . . 10.0 112.548 -179.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.676 ' HD2' ' H ' ' A' ' 19' ' ' THR . 64.6 Cg_exo -43.05 129.93 5.84 Favored 'Trans proline' 0 C--N 1.366 1.485 0 C-N-CA 122.625 2.217 . . . . 10.0 113.758 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' N ' ' HD2' ' A' ' 22' ' ' PRO . . . -60.98 -49.6 88.37 Favored Pre-proline 0 CA--C 1.538 0.493 0 N-CA-C 113.679 0.992 . . . . 10.0 113.679 -179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 21' ' ' ALA . 5.9 Cg_exo -41.81 -56.64 1.82 Allowed 'Trans proline' 0 CA--C 1.548 1.205 0 C-N-CA 122.87 2.38 . . . . 10.0 115.466 -179.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.519 ' HD2' ' O ' ' A' ' 20' ' ' PRO . 6.2 Cg_exo -74.56 -37.5 2.33 Favored 'Trans proline' 0 C--N 1.355 0.869 0 C-N-CA 121.508 1.472 . . . . 10.0 112.613 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.456 ' HB ' ' H ' ' A' ' 25' ' ' GLY . 4.5 t -110.54 -99.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.747 -179.835 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.456 ' H ' ' HB ' ' A' ' 24' ' ' VAL . . . 38.81 -115.69 0.48 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 114.565 0.586 . . . . 10.0 114.565 179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.501 ' HB3' ' C ' ' C' ' 6' ' ' BB9 . 53.9 Cg_exo -53.62 -31.69 61.09 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.763 2.975 . . . . 10.0 114.422 -179.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.93 -49.21 50.78 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.057 0.456 . . . . 10.0 111.797 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.477 ' HB3' ' HB ' ' A' ' 33' ' ' VAL . 68.4 mt -91.64 -22.32 20.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.917 0.389 . . . . 10.0 110.107 179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -64.32 -38.35 95.74 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.931 -0.577 . . . . 10.0 112.367 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -80.92 13.27 2.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.302 0.572 . . . . 10.0 110.685 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.409 ' HB3' HG11 ' A' ' 60' ' ' VAL . 28.9 m80 -122.96 10.33 9.47 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.481 -0.781 . . . . 10.0 109.102 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 77.13 14.47 82.57 Favored Glycine 0 CA--C 1.521 0.418 0 CA-C-N 115.506 -0.77 . . . . 10.0 113.787 179.347 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' HB ' ' HB3' ' A' ' 28' ' ' LEU . 26.1 t -96.34 133.85 36.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 112.353 0.501 . . . . 10.0 112.353 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -86.6 108.52 18.63 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 21.6 pt -60.13 -36.47 68.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 113.423 0.897 . . . . 10.0 113.423 -178.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.3 mtt -62.86 -48.02 80.84 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.015 0.436 . . . . 10.0 110.959 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -63.52 -43.1 98.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.855 -0.611 . . . . 10.0 110.826 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -62.66 -42.22 99.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.953 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 3.1 t -53.73 -58.26 7.86 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.979 -0.555 . . . . 10.0 112.061 -179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 50.3 pttt -61.98 -34.74 76.71 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.13 0.418 . . . . 10.0 112.13 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -70.86 -54.47 11.39 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 121.042 -0.263 . . . . 10.0 111.695 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -58.45 -43.75 88.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.398 -0.365 . . . . 10.0 110.979 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -60.15 -34.0 72.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.277 -0.419 . . . . 10.0 112.12 -179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.44 -45.48 19.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.84 0.352 . . . . 10.0 111.122 -179.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -38.75 90.63 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.043 -0.526 . . . . 10.0 111.371 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.435 ' OG1' HD21 ' A' ' 54' ' ' LEU . 1.1 t -79.41 -4.54 51.53 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.726 0.639 . . . . 10.0 112.726 -178.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.42 1.09 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.792 0.33 . . . . 10.0 111.293 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -84.89 -13.7 50.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.017 0.437 . . . . 10.0 110.42 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 pttt -156.0 41.45 0.39 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.559 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.29 145.28 32.59 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.72 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 113.09 -19.32 20.64 Favored Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 111.364 -0.694 . . . . 10.0 111.364 -179.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 76.9 mtm -116.65 133.98 55.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.766 -0.217 . . . . 10.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.423 ' O ' ' HD2' ' A' ' 74' ' ' PRO . 14.9 tt -77.54 143.21 13.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.126 -0.694 . . . . 10.0 109.126 178.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.435 HD21 ' OG1' ' A' ' 46' ' ' THR . 0.7 OUTLIER -147.84 144.21 18.8 Favored Pre-proline 0 C--N 1.325 -0.499 0 C-N-CA 120.776 -0.37 . . . . 10.0 111.77 -179.299 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -72.45 139.0 30.85 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.729 2.286 . . . . 10.0 111.435 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.41 124.57 65.77 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-O 121.122 0.487 . . . . 10.0 110.416 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 p -92.61 118.54 38.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.537 -0.542 . . . . 10.0 109.537 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 19.8 mt -107.1 126.56 63.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.57 -179.209 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 27.5 m -104.22 112.17 25.07 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.546 -0.538 . . . . 10.0 109.546 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.409 HG11 ' HB3' ' A' ' 31' ' ' HIS . 4.2 m -87.82 153.82 3.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.554 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -128.74 178.68 6.17 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.602 -0.518 . . . . 10.0 109.602 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -64.71 -47.17 79.3 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.473 -0.565 . . . . 10.0 109.473 179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -71.79 158.64 35.73 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.35 -0.982 . . . . 10.0 108.35 177.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 5.0 mtmp? -72.97 47.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.072 0.463 . . . . 10.0 111.941 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 46.1 m -123.68 158.49 31.47 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.114 -0.699 . . . . 10.0 109.114 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -152.01 169.9 21.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.227 0.537 . . . . 10.0 111.594 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 9.7 t -143.89 148.74 35.85 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 107.894 -1.15 . . . . 10.0 107.894 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -140.5 151.94 45.2 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.259 -0.576 . . . . 10.0 112.142 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.7 mt -124.08 127.49 73.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 115.081 -0.963 . . . . 10.0 109.126 178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 34.3 pt -84.61 145.96 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 120.647 0.26 . . . . 10.0 110.439 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -112.36 -170.65 1.7 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.307 -0.406 . . . . 10.0 109.948 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.406 ' OG1' ' HD2' ' A' ' 73' ' ' PRO . 0.5 OUTLIER -97.73 156.57 35.9 Favored Pre-proline 0 C--N 1.32 -0.679 0 N-CA-C 108.913 -0.773 . . . . 10.0 108.913 179.324 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' OG1' ' A' ' 72' ' ' THR . 6.2 Cg_endo -50.39 127.02 19.07 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.404 2.07 . . . . 10.0 111.565 179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.466 ' HG3' ' OE1' ' A' ' 12' ' ' GLN . 19.1 Cg_endo -60.45 154.76 51.27 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.857 2.371 . . . . 10.0 112.271 -179.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -60.28 -33.88 72.96 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.924 -0.58 . . . . 10.0 110.503 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.19 -44.34 67.84 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.199 -0.91 . . . . 10.0 111.837 179.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -73.5 -44.39 57.92 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.22 -0.445 . . . . 10.0 111.603 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 64.3 mt -63.05 -44.68 95.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.887 0.375 . . . . 10.0 111.497 -178.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.664 HD21 ' HA ' ' A' ' 132' ' ' ALA . 19.5 tp -58.44 -39.38 79.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.013 -0.54 . . . . 10.0 111.19 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.439 ' HB3' HG23 ' A' ' 85' ' ' ILE . 66.7 mttm -67.83 -29.62 68.82 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 10.0 111.289 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -76.89 -17.85 58.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.922 0.392 . . . . 10.0 110.914 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -88.06 -44.7 10.76 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.466 0.543 . . . . 10.0 112.466 -179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.452 ' HB1' ' HA3' ' A' ' 98' ' ' GLY . . . -96.97 20.3 11.4 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.214 0.82 . . . . 10.0 113.214 -178.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 85.79 128.49 2.13 Favored Glycine 0 N--CA 1.445 -0.76 0 N-CA-C 110.137 -1.185 . . . . 10.0 110.137 -178.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 1.8 mt -92.89 -132.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 110.271 -0.27 . . . . 10.0 110.271 -178.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 43.4 mt-10 75.01 -65.02 0.36 Allowed 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 123.511 0.725 . . . . 10.0 110.934 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 20.6 mmmt -138.57 158.55 44.04 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.486 -0.931 . . . . 10.0 108.486 178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -133.9 61.7 0.64 Allowed Glycine 0 C--O 1.225 -0.41 0 C-N-CA 119.965 -1.112 . . . . 10.0 113.869 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 89.2 p 51.79 105.58 0.01 OUTLIER 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.082 0.953 . . . . 10.0 113.28 179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.2 m -63.59 -26.25 68.6 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -128.95 85.98 58.65 Favored Pre-proline 0 N--CA 1.451 -0.38 0 CA-C-N 114.774 -1.103 . . . . 10.0 109.588 178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.531 ' HD3' ' H21' ' B' 1063 ' ' ' G' . 50.3 Cg_exo -55.13 141.52 79.68 Favored 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 123.299 2.666 . . . . 10.0 112.345 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 2.5 mmmp? 73.28 -30.28 0.21 Allowed 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 123.393 0.677 . . . . 10.0 110.853 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.459 ' H ' ' C ' ' A' ' 92' ' ' PRO . 20.8 mmt180 -75.77 -50.3 15.64 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.103 -0.703 . . . . 10.0 109.103 178.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -118.08 114.03 22.5 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.287 -0.634 . . . . 10.0 109.287 178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.469 ' CD1' ' HB2' ' A' ' 138' ' ' GLU . 6.1 tp -81.7 124.75 39.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.457 0.646 . . . . 10.0 112.34 -179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.58 106.89 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 115.431 -0.804 . . . . 10.0 109.637 179.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.452 ' HA3' ' HB1' ' A' ' 83' ' ' ALA . . . 102.42 135.99 8.99 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.385 -0.912 . . . . 10.0 112.175 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -136.15 147.8 47.89 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.676 0.274 . . . . 10.0 110.94 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 15.4 m -135.72 159.29 39.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.414 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.44 ' H ' ' HB2' ' A' ' 104' ' ' GLN . 34.9 p -102.07 168.26 9.5 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.482 -0.562 . . . . 10.0 109.482 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -25.49 68.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.984 0.421 . . . . 10.0 110.322 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.556 ' O ' ' HG2' ' A' ' 107' ' ' GLU . 21.4 tttp -78.97 -34.44 44.23 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.132 -0.486 . . . . 10.0 109.91 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.44 ' HB2' ' H ' ' A' ' 101' ' ' THR . 1.3 tp60 -62.4 -47.91 82.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.571 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' H ' HG12 ' A' ' 105' ' ' ILE . 9.0 pt -66.99 -31.72 54.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.356 -0.384 . . . . 10.0 110.725 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -63.07 -44.8 94.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.864 -0.607 . . . . 10.0 109.956 178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 103' ' ' LYS . 76.7 mm-40 -59.86 -37.95 80.77 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.681 -0.69 . . . . 10.0 110.767 179.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 104' ' ' GLN . 27.5 mt -72.61 -43.22 62.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.352 . . . . 10.0 110.204 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.26 -36.27 81.52 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-O 121.205 0.526 . . . . 10.0 110.37 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -64.88 -37.99 89.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.478 -0.783 . . . . 10.0 110.57 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 5.2 m -76.44 -32.47 58.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 10.0 111.785 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -96.56 11.26 35.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 10.0 110.659 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.487 ' N ' ' HD2' ' A' ' 114' ' ' PRO . 23.5 ttt -60.43 -48.75 92.92 Favored Pre-proline 0 CA--C 1.536 0.426 0 N-CA-C 112.702 0.63 . . . . 10.0 112.702 -179.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.487 ' HD2' ' N ' ' A' ' 113' ' ' MET . 38.1 Cg_endo -66.94 1.1 3.04 Favored 'Trans proline' 0 C--N 1.356 0.968 0 C-N-CA 121.832 1.688 . . . . 10.0 112.794 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -128.01 27.37 5.69 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.376 0.608 . . . . 10.0 109.717 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 116' ' ' LEU . 4.2 tp -132.4 143.8 50.07 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.505 -0.771 . . . . 10.0 110.055 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -81.11 -14.48 57.67 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 116.423 -0.353 . . . . 10.0 111.482 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -56.47 137.49 53.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.01 -0.541 . . . . 10.0 111.134 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASN . . . . . . . . . . . . . 28.2 p30 -99.86 -20.94 15.92 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.281 0.563 . . . . 10.0 109.667 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.74 145.79 34.56 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.404 -0.816 . . . . 10.0 110.244 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 52.8 mt -62.36 -44.47 96.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.381 -0.372 . . . . 10.0 111.245 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 13.5 mp0 -61.5 -30.38 70.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 10.0 110.923 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.545 ' O ' HG12 ' A' ' 127' ' ' ILE . . . -69.59 -43.46 72.77 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.821 -0.437 . . . . 10.0 109.821 179.689 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -65.68 -34.61 78.6 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.889 -0.596 . . . . 10.0 110.157 179.415 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' MET . . . . . 0.423 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 64.7 ttp -65.27 -43.76 90.22 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.305 -0.861 . . . . 10.0 109.762 179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.2 mmtm -62.62 -39.93 95.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.272 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.545 HG12 ' O ' ' A' ' 123' ' ' ALA . 18.9 mm -48.91 -53.16 8.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 115.955 -0.566 . . . . 10.0 110.999 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 69.1 mt -71.29 -28.77 33.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.9 -0.591 . . . . 10.0 111.701 -179.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 125' ' ' MET . 38.4 mt-10 -61.79 -32.78 73.09 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 178.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLY . . . . . . . . . . . . . . . -66.39 -39.4 94.18 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 110.742 -0.943 . . . . 10.0 110.742 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' THR . . . . . . . . . . . . . 1.6 m -68.95 -41.05 78.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.975 0.417 . . . . 10.0 110.158 179.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.664 ' HA ' HD21 ' A' ' 79' ' ' LEU . . . -56.9 -52.52 64.85 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.697 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.85 -19.27 65.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.548 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 13.3 m -92.77 -3.64 54.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.559 0.218 . . . . 10.0 110.988 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' MET . . . . . . . . . . . . . 22.9 mtt -113.42 9.26 18.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.512 -0.313 . . . . 10.0 111.439 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 74.04 28.06 65.24 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.387 -0.911 . . . . 10.0 112.411 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 97.0 mt -114.82 118.33 58.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.871 -0.788 . . . . 10.0 108.871 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.469 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 7.3 tp10 -83.17 147.8 27.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.415 0.626 . . . . 10.0 111.452 -178.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' VAL . . . . . . . . . . . . . 8.3 m -99.9 150.56 5.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 115.332 -0.849 . . . . 10.0 109.627 178.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' VAL . . . . . . . . . . . . . 28.1 m 41.76 54.31 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.35 0 O-C-N 124.354 1.034 . . . . 10.0 113.069 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.403 -0.808 . . . . 10.0 109.865 179.467 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1051 ' ' ' G' . . . . . 0.877 " H2'" " O4'" ' B' 1052 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.107 0 C3'-C2'-C1' 100.733 -0.852 . 0.0 '__' . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1052 ' ' ' C' . . . . . 0.877 " O4'" " H2'" ' B' 1051 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 O4'-C4'-C3' 103.24 -1.614 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1053 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.748 0 O4'-C1'-C2' 107.682 0.915 . 0.15 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1054 ' ' ' G' . . . . . 0.437 " H2'" " O4'" ' B' 1055 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.41 1.436 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1055 ' ' ' G' . . . . . 0.437 " O4'" " H2'" ' B' 1054 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 C3'-C2'-O2' 110.793 -0.865 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1056 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 O4'-C4'-C3' 103.287 -1.58 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1057 ' ' ' A' . . . . . 0.495 ' N3 ' " H2'" ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.429 -0.658 0 O4'-C1'-C2' 108.094 1.21 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1058 ' ' ' U' . . . . . 0.493 ' H6 ' " O5'" ' B' 1058 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 108.137 1.24 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1059 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 C4'-C3'-C2' 104.851 2.151 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1f' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1060 ' ' ' U' . . . . . 0.488 " O3'" " H3'" ' B' 1061 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.852 -1.831 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1061 ' ' ' U' . . . . . 0.488 " H3'" " O3'" ' B' 1060 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 C4'-C3'-C2' 104.45 1.75 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1062 ' ' ' G' . . . . . 0.436 ' N2 ' ' HG2' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 C3'-C2'-O2' 110.439 -0.986 . 0.0 OUTLIER '7D dist 2h' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1063 ' ' ' G' . . . . . 0.531 ' H21' ' HD3' ' A' ' 92' ' ' PRO . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 C4'-C3'-C2' 104.019 1.319 . 0.0 OUTLIER '7D dist 1e' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1064 ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 102.535 -2.118 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1065 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 O4'-C1'-C2' 108.261 1.329 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1066 ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.852 1.037 . 0.01 1c . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1067 ' ' ' A' . . . . . 0.611 ' H61' " H1'" ' B' 1095 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.861 1.044 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1068 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.916 0 C3'-C2'-O2' 110.86 -0.841 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1069 ' ' ' A' . . . . . 0.52 " H1'" ' N6 ' ' B' 1073 ' ' ' A' . . . . . . . . 0 O4'--C1' 1.404 -0.852 0 C4'-C3'-C2' 104.032 1.332 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1070 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.889 0 O4'-C1'-C2' 108.128 1.235 . 0.0 OUTLIER alpha 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1071 ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-O2' 110.885 -0.833 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1072 ' ' ' C' . . . . . 0.408 ' O2 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.428 -0.775 0 O4'-C1'-C2' 107.928 1.091 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1073 ' ' ' A' . . . . . 0.52 ' N6 ' " H1'" ' B' 1069 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.082 -1.013 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1074 ' ' ' G' . . . . . 0.456 ' C6 ' ' N4 ' ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.756 -0.827 . 0.01 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1075 ' ' ' C' . . . . . 0.724 ' H6 ' " O5'" ' B' 1075 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.969 0 C3'-C2'-C1' 100.135 -1.516 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1076 ' ' ' C' . . . . . 0.577 " O2'" " H5'" ' B' 1077 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 104.239 -0.901 . 0.143 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1077 ' ' ' A' . . . . . 0.577 " H5'" " O2'" ' B' 1076 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C4'-C3' 103.453 -1.462 . 0.712 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1078 ' ' ' U' . . . . . 0.715 " O2'" H5'' ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C3'-C2'-O2' 110.672 -0.906 . 0.0 OUTLIER '7D dist 1c' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1079 ' ' ' C' . . . . . 1.052 ' H5 ' " O5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.918 0 O4'-C1'-C2' 107.589 0.849 . 0.0 OUTLIER '7D dist 5n wannabe' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1080 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 O4'-C4'-C3' 103.118 -1.702 . 0.871 1L . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1081 ' ' ' U' . . . . . 0.45 ' N3 ' ' N1 ' ' B' 1057 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.422 -1.122 0 C3'-C2'-O2' 110.52 -0.959 . 0.476 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1082 ' ' ' U' . . . . . 0.805 " H2'" " O4'" ' B' 1083 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C4'-C3' 103.904 -1.14 . 0.366 1L . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1083 ' ' ' U' . . . . . 0.805 " O4'" " H2'" ' B' 1082 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 108.068 1.192 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1084 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 O4'-C1'-C2' 108.063 1.188 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1085 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 O4'-C1'-C2' 107.86 1.043 . 0.559 1a . 10.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B 1086 ' ' ' A' . . . . . 0.653 ' N3 ' " H3'" ' B' 1086 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 104.007 -1.066 . 0.09 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1087 ' ' ' G' . . . . . 0.503 " O2'" " H5'" ' B' 1088 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.424 -1.021 0 C3'-C2'-O2' 110.597 -0.932 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1088 ' ' ' A' . . . . . 1.052 " O5'" ' H5 ' ' B' 1079 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C4'-C3'-C2' 104.462 1.762 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1089 ' ' ' G' . . . . . 0.439 " O4'" " H1'" ' B' 1087 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 107.779 0.985 . 0.092 0b . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1090 ' ' ' U' . . . . . 0.541 " H2'" " O4'" ' B' 1091 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.859 0 O4'-C1'-C2' 107.635 0.882 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1091 ' ' ' G' . . . . . 0.541 " O4'" " H2'" ' B' 1090 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 C3'-C2'-C1' 100.284 -1.352 . 0.06 1c . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1092 ' ' ' C' . . . . . 0.633 ' H6 ' " O5'" ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.987 0 C3'-C2'-C1' 100.762 -0.82 . 0.042 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1093 ' ' ' G' . . . . . 0.413 ' C6 ' ' N4 ' ' B' 1092 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C1'-C2' 108.336 1.383 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1094 ' ' ' U' . . . . . 0.748 ' O2 ' ' H5 ' ' B' 1097 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 102.902 -1.856 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1095 ' ' ' A' . . . . . 0.611 " H1'" ' H61' ' B' 1067 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.428 -0.77 0 O4'-C1'-C2' 108.077 1.198 . 0.0 OUTLIER '7D dist 1g' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1096 ' ' ' A' . . . . . 0.443 " H3'" ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 O4'-C4'-C3' 103.424 -1.483 . 0.0 OUTLIER . 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1097 ' ' ' C' . . . . . 0.748 ' H5 ' ' O2 ' ' B' 1094 ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 C3'-C2'-O2' 110.829 -0.852 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1098 ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.964 0 O4'-C1'-C2' 108.081 1.201 . 0.0 OUTLIER zeta-1 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1099 ' ' ' G' . . . . . 0.573 " H2'" " O4'" ' B' 1100 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.422 -1.123 0 O4'-C4'-C3' 103.781 -1.228 . 0.773 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1100 ' ' ' C' . . . . . 0.573 " O4'" " H2'" ' B' 1099 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.965 0 O4'-C4'-C3' 103.737 -1.259 . 0.0 OUTLIER gamma 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1101 ' ' ' U' . . . . . 0.538 " H2'" ' C5 ' ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.423 -1.032 0 O4'-C4'-C3' 103.628 -1.337 . 0.447 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1102 ' ' ' C' . . . . . 0.808 " H2'" " O4'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.92 0 C3'-C2'-C1' 100.562 -1.042 . 0.371 7a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1103 ' ' ' A' . . . . . 0.808 " O4'" " H2'" ' B' 1102 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C4'-C3' 103.985 -1.082 . 0.725 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1104 ' ' ' C' . . . . . 0.437 ' C6 ' " H3'" ' B' 1103 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.933 0 C3'-C2'-C1' 99.909 -1.768 . 0.013 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1105 ' ' ' C' . . . . . 0.618 " H2'" " O4'" ' B' 1106 ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 100.591 -1.01 . 0.407 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1106 ' ' ' A' . . . . . 0.618 " O4'" " H2'" ' B' 1105 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.426 -0.899 0 O4'-C4'-C3' 103.187 -1.652 . 0.0 OUTLIER '7D dist 1a' 10.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B 1107 ' ' ' G' . . . . . 0.517 " H2'" " O4'" ' B' 1108 ' ' ' C' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 100.158 -1.492 . 0.218 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B 1108 ' ' ' C' . . . . . 0.517 " O4'" " H2'" ' B' 1107 ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 107.698 0.927 . 0.637 1a . 10.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 0' ' ' QUA . . . . . 0.466 ' O12' ' N ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ILE . . . . . 0.547 ' N ' HD12 ' C' ' 1' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 120.86 0.362 . . . . 10.0 110.621 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.72 102.18 6.95 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.714 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ALA . . . . . . . . . . . . . . . -124.65 121.37 34.51 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 119.152 0.887 . . . . 10.0 110.304 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' SER . . . . . 0.718 ' H ' ' HN1' ' C' ' 13' ' ' BB9 . . . 74.63 99.49 0.07 Allowed 'General case' 0 CA--C 1.448 -2.952 0 CA-C-N 116.078 -0.51 . . . . 10.0 111.259 -178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' BB9 . . . . . 0.646 ' HN1' ' CB ' ' C' ' 13' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' THR . . . . . 0.511 HG23 ' O ' ' C' ' 6' ' ' BB9 . 0.1 OUTLIER -170.79 140.2 1.61 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 112.959 -1.928 . . . . 10.0 111.524 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' DBU . . . . . 0.486 ' HG2' ' C5 ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' DCY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TS9 . . . . . 0.405 HD13 ' P ' ' B' 1095 ' ' ' A' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' THR . . . . . . . . . . . . . 44.8 p -125.56 -166.79 1.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 112.157 -2.292 . . . . 10.0 109.897 179.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' BB9 . . . . . 0.718 ' HN1' ' H ' ' C' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' MH6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' BB9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' DHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 119.557 1.071 . . . . 10.0 . . . . . . . . . . 0 0 . 1 stop_ save_