data_4b8t_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 4b8t _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.477 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.439 HG11 ' HA ' ' A' ' 19' ' ' ARG . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.639 ' HA ' HD21 ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.854 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.854 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.503 HG21 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.48 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.562 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.503 ' HB ' HG21 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.635 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.478 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.628 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.857 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.857 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 HD11 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.59 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.59 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.59 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.551 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 75' ' ' ASN . 8.8 m120 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.628 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.274 -0.331 . . . . 0.0 112.274 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.5 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HA ' HG11 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.519 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.55 ' HG3' ' HA ' ' A' ' 18' ' ' PRO . 9.7 mp0 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.413 HG21 ' HB3' ' A' ' 14' ' ' ASP . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.481 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.444 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.643 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.643 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.457 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HB3' HG21 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.476 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.877 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.877 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 HD13 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.546 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.41 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.407 ' HD2' ' O ' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.635 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.407 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.445 -0.753 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.423 HG21 ' HB1' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.83 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.83 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.435 HD13 HD13 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.603 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.587 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.3 m120 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.539 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.421 ' HA ' HD22 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.757 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.489 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.757 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.463 HD11 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.555 HG23 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.414 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.553 HG21 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.517 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.49 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.445 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 78' ' ' LEU . 10.3 m120 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 25' ' ' VAL . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.429 HG12 ' HB3' ' A' ' 67' ' ' CYS . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.429 ' HB3' HG21 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.624 ' HA ' HG11 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.624 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.554 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.857 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.484 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.418 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.857 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.429 HG21 ' HB3' ' A' ' 14' ' ' ASP . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.461 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.482 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.554 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG11 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.856 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.856 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.529 HD13 HD13 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.614 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.583 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.468 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.546 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.8 m120 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.487 ' HB3' HG21 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.756 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.458 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.756 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.432 HD11 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.643 0.735 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CE ' HG12 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.577 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.45 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.46 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.473 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.641 ' HA ' HG11 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.816 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.478 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.472 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.816 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.699 HD13 HD13 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.621 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.621 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.324 0.583 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.555 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.595 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.551 ' HB ' HG21 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HB3' HG21 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 17' ' ' VAL . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.65 ' HA ' HG11 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.856 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.437 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.856 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.491 HD11 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.457 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.587 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.6 HD21 HG13 ' A' ' 25' ' ' VAL . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' ' 67' ' ' CYS . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.851 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.535 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.464 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.851 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.429 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.496 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.404 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 HG13 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HA ' HG11 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.59 HG13 HD23 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.861 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.861 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.61 HD13 HD13 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.47 0.653 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.519 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.459 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.518 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.518 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.501 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.9 m120 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.59 HD23 HG13 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.483 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.649 ' HA ' HG11 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.582 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.69 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.792 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' A' ' 31' ' ' GLU . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.558 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.462 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.792 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 32' ' ' MET . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.006 0.431 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' HG13 ' A' ' 17' ' ' VAL . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG21 ' HB3' ' A' ' 14' ' ' ASP . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.513 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.532 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.623 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.623 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.495 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.69 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG21 ' HB1' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.622 ' HA ' HG11 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.571 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.866 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.866 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 HD12 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.436 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.412 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.4 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.519 HG21 ' HB1' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 17' ' ' VAL . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.596 ' HA ' HG11 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.782 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.782 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.547 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' HG23 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.547 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.49 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' HIS . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.414 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.498 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HA ' HG11 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.522 HG11 ' HA ' ' A' ' 19' ' ' ARG . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.66 ' HA ' HD21 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.768 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.768 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.419 HD11 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.498 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 14' ' ' ASP . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.474 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 75' ' ' ASN . 8.4 m120 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' HD23 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HA ' HG11 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 28' ' ' ARG . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.67 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.67 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.569 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' MET . . . . . 0.519 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' HG21 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.688 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.648 ' HA ' HG11 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 26' ' ' ILE . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.823 HG13 HD23 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.854 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 33' ' ' ILE . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.854 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 HD13 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.554 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.536 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.823 HD23 HG13 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG21 HD22 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HA ' HG11 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.469 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.841 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.841 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.612 HD13 HD13 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.621 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.621 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 ' HB3' ' A' ' 14' ' ' ASP . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.66 67.69 10.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.6 82.22 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.77 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.8 -15.08 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.452 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.86 34.83 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 15.07 61.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.304 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -79.74 -10.65 59.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 111.09 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -91.63 125.3 36.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -90.49 -179.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 -174.61 33.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.657 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.67 72.71 2.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.754 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.562 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 118.72 109.32 2.38 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.477 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 HG12 ' CE2' ' A' ' 46' ' ' PHE . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.439 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.547 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 ' HB ' ' O6 ' ' B' ' 3' ' ' ' G' . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.501 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.593 ' HA ' " H1'" ' B' ' 1' ' ' ' A' . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.639 ' HA ' HD21 ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.854 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.538 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.511 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.854 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.503 HG21 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.48 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG22 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -126.99 112.01 14.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.432 ' CE2' HG12 ' A' ' 17' ' ' VAL . 12.5 m-85 -59.53 126.73 28.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.034 175.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.409 ' HD3' HG23 ' A' ' 57' ' ' ILE . 49.7 mtpt -74.59 167.01 22.59 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -52.5 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.226 0.328 . . . . 0.0 110.315 -177.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.4 t0 175.24 100.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.712 0.633 . . . . 0.0 109.585 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.45 ' OD1' ' HB ' ' A' ' 57' ' ' ILE . 2.1 m-20 -58.81 -34.71 71.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.364 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.69 0.39 32.21 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 113.539 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -91.04 59.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.093 0.949 . . . . 0.0 110.513 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.95 174.66 22.12 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.858 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.637 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 83.5 Cg_endo -82.07 5.07 6.57 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.011 2.474 . . . . 0.0 112.007 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.637 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 18.2 mp0 -110.59 178.26 4.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.562 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.418 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.429 ' CB ' HG22 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.503 ' HB ' HG21 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.635 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.639 HD21 ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.473 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 3.7 p -78.61 -15.15 58.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.588 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 47.7 mt -77.85 -20.36 53.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.135 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -74.61 86.93 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.599 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m 63.31 23.06 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.094 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 80' ' ' SER . . . -70.54 -66.0 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo -78.09 106.84 2.22 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.838 2.359 . . . . 0.0 110.874 172.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_exo -68.28 125.37 12.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.923 2.416 . . . . 0.0 112.913 -173.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -124.84 105.57 0.86 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.599 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.779 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 46.2 Cg_exo -54.36 -58.83 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.896 2.398 . . . . 0.0 113.061 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.779 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 92.8 Cg_endo -93.64 172.2 1.85 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.972 1.782 . . . . 0.0 111.834 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.95 -45.72 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.809 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.419 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . -96.16 -117.84 3.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.816 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.419 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 3.0 Cg_exo -75.45 56.52 4.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 111.974 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.08 97.99 0.11 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.429 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.469 ' SD ' ' HD2' ' A' ' 95' ' ' PRO . 48.0 tpp -79.9 122.37 83.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.542 0.211 . . . . 0.0 110.957 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.469 ' HD2' ' SD ' ' A' ' 94' ' ' MET . 32.3 Cg_endo -65.45 125.66 14.84 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 111.619 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.9 Cg_exo -76.94 59.9 6.62 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.51 2.807 . . . . 0.0 112.861 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.62 43.3 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.021 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.23 179.19 48.44 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.555 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -77.15 69.69 3.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.131 0.491 . . . . 0.0 110.464 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.67 -8.41 69.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.091 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.24 133.29 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.923 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.49 -44.26 1.54 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.492 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.65 -39.72 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.91 0.386 . . . . 0.0 110.477 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.73 68.86 3.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.091 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.2 9.53 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.82 -179.603 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.593 " H1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.009 -1.065 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.547 ' O6 ' ' HA ' ' A' ' 20' ' ' HIS . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.603 1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.732 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 105.726 3.026 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.732 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 122.691 2.493 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.57 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.941 1 C4'-C3'-C2' 106.83 4.13 . 0.164 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.52 123.49 24.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -87.97 99.09 11.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.66 98.61 11.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -89.86 129.78 36.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.272 0.558 . . . . 0.0 111.02 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.11 146.12 4.56 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.279 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -85.52 -61.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -172.78 113.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' H ' ' A' ' 9' ' ' ILE . 0.2 OUTLIER -123.41 160.55 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.003 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.8 -169.44 42.38 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.843 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.79 79.09 1.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.677 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.59 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.15 107.01 3.07 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.478 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.478 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.551 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.585 ' O ' HG23 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.551 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.538 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.605 HG22 HD12 ' A' ' 81' ' ' LEU . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.628 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.857 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.6 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.412 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.857 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.404 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 HD11 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.59 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.465 ' HB2' HG23 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG23 ' HB2' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.59 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -137.53 123.4 20.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.63 129.26 39.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 57' ' ' ILE . 46.2 mtpt -85.16 -14.3 47.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 65.36 31.89 10.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.49 170.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 123.89 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.49 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.14 149.34 42.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.12 -12.39 69.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.113 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -69.88 -39.96 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.016 0.436 . . . . 0.0 111.283 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.29 -158.78 31.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.822 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 92.8 Cg_endo -81.86 12.46 2.78 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.082 2.521 . . . . 0.0 113.104 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.415 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 2.5 mp0 -113.57 179.29 4.0 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.443 HG23 ' HD3' ' A' ' 47' ' ' LYS . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.439 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.59 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.551 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.464 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.574 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.701 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.414 HD21 ' HA ' ' A' ' 75' ' ' ASN . 8.8 m120 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.628 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.701 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -74.54 -24.91 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.605 HD12 HG22 ' A' ' 24' ' ' VAL . 38.4 mt -84.1 -35.19 23.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 109.629 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -66.5 -64.7 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.419 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m 47.74 59.75 3.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.557 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.4 -179.77 48.11 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.614 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.66 119.62 7.0 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.801 2.334 . . . . 0.0 112.027 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.41 -25.35 48.82 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.017 2.478 . . . . 0.0 112.689 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.36 -88.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.729 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 26.7 Cg_exo -62.17 138.19 70.82 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.867 2.378 . . . . 0.0 111.693 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 27.0 Cg_exo -62.69 99.35 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.038 2.492 . . . . 0.0 112.11 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.64 -156.11 11.07 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.38 -109.32 3.81 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.284 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.59 99.72 0.54 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.871 2.381 . . . . 0.0 112.757 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.16 53.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.99 115.94 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 122.747 -0.266 . . . . 0.0 110.664 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_exo -72.08 121.38 7.5 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.72 2.28 . . . . 0.0 111.269 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -78.08 45.13 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.399 2.733 . . . . 0.0 112.313 -178.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.73 155.36 8.19 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.33 142.54 3.52 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.271 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -115.89 -9.92 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.746 0.308 . . . . 0.0 110.811 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.87 -62.9 3.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.331 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -70.3 -62.3 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.5 105.32 2.73 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.27 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -96.6 -6.47 36.72 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.07 118.1 13.11 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.477 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.41 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 12.3 mm-40 59.97 26.68 15.98 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 122.838 0.455 . . . . 0.0 110.918 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.058 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.425 " H1'" HG13 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.573 -1.031 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.554 " O5'" ' H8 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-C1' 103.469 2.188 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.799 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.835 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.799 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 P-O3'-C3' 122.101 2.001 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.633 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.78 1 C4'-C3'-C2' 106.884 4.184 . 0.161 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.79 57.48 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -125.11 108.5 11.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.07 102.99 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -137.03 95.14 3.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.552 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.05 24.97 8.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.305 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 m -81.78 70.39 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.0 110.317 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -83.64 -72.22 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.52 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG23 ' H ' ' A' ' 11' ' ' GLY . 3.1 mp -85.1 128.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.216 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.71 44.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.837 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.445 ' H ' HG23 ' A' ' 9' ' ' ILE . . . 98.47 -120.43 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.268 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -70.89 127.8 15.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.274 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.413 ' HB3' HG21 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.5 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.453 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.55 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HA ' HG11 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.51 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.528 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.662 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.469 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.519 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.519 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -115.66 130.41 56.85 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.421 ' HB2' ' H21' ' B' ' 3' ' ' ' G' . 2.8 m-30 -72.4 126.49 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HD3' HG23 ' A' ' 57' ' ' ILE . 46.3 mtpt -77.21 50.49 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.594 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 60.33 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.583 0.753 . . . . 0.0 110.296 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.03 116.62 4.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 5.5 t70 -77.31 -18.36 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 0.0 109.749 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.24 26.18 73.47 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -121.43 92.8 3.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.128 0.489 . . . . 0.0 111.223 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.85 -168.31 47.15 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.685 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 58.6 Cg_endo -85.19 10.45 3.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.482 2.788 . . . . 0.0 112.141 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.685 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 9.7 mp0 -112.63 166.69 11.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.492 HG23 ' HD3' ' A' ' 47' ' ' LYS . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.481 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.444 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.643 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.643 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.457 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.48 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.503 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -72.15 -37.37 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 27.5 mt -71.11 -40.19 71.63 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.671 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.0 ttm180 -59.59 -64.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t 49.3 61.15 3.29 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.216 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.02 -74.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.476 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -83.89 110.54 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.804 2.336 . . . . 0.0 111.664 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.67 144.0 66.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.838 2.359 . . . . 0.0 111.963 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.41 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . 174.4 -60.29 0.12 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.65 -174.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.446 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.5 Cg_endo -59.47 127.82 25.13 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.862 2.374 . . . . 0.0 111.906 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 11.0 Cg_exo -71.08 -179.0 3.15 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.918 2.412 . . . . 0.0 112.126 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.9 -61.32 7.64 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.884 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.48 -160.73 33.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.422 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.43 47.12 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.006 2.471 . . . . 0.0 112.746 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' MET . . . -96.6 -163.36 32.79 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.683 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 47.5 ttm 70.83 129.31 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 C-N-CA 123.286 0.634 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -92.05 94.6 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.217 2.611 . . . . 0.0 111.79 175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.683 ' HD3' ' O ' ' A' ' 94' ' ' MET . 92.2 Cg_endo -95.15 32.49 0.18 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.965 2.443 . . . . 0.0 112.539 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.02 115.23 6.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.782 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.1 -73.21 2.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.404 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.15 -12.33 58.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.613 0.244 . . . . 0.0 111.513 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.45 -79.15 1.29 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.749 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.54 119.01 26.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.78 153.42 23.64 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -111.83 116.81 31.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.05 0.452 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.04 -142.1 10.68 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.303 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.13 86.49 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.895 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.72 178.513 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.432 " H1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.833 -1.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.528 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.468 1.477 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.71 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 107.091 -2.788 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.71 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 P-O3'-C3' 122.833 2.611 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.674 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.856 1 C4'-C3'-C2' 106.821 4.121 . 0.205 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.467 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 70.5 1.47 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.94 0.4 . . . . 0.0 110.005 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.4 mtm -141.69 77.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.391 0.615 . . . . 0.0 110.178 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -130.82 140.3 50.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.06 -66.53 0.38 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 m 57.04 39.07 29.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.593 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 51.4 mtp180 -100.5 72.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.025 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.417 HD13 ' N ' ' A' ' 9' ' ' ILE . 3.6 mp -78.21 93.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -68.59 1.67 Allowed Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.835 -0.621 . . . . 0.0 113.404 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.527 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . 124.55 -88.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -90.07 112.73 4.09 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.451 ' HB3' HG21 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.427 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.476 ' HA ' HG11 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.476 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.586 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.407 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.877 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.486 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.452 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.877 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.599 HD13 HD13 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -118.53 111.16 18.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -73.98 129.52 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.551 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -88.76 149.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.94 121.32 24.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.807 0.336 . . . . 0.0 110.584 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.19 161.61 15.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.687 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.41 20.53 18.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.28 9.84 85.47 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.674 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -103.36 111.25 23.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.312 0.577 . . . . 0.0 110.593 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 158.48 19.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.978 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 61.4 Cg_endo -88.59 -8.72 5.14 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.672 2.248 . . . . 0.0 112.897 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.603 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -120.18 160.65 22.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.465 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.451 HG21 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.546 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.593 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.41 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.407 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.635 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.413 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m -68.83 -29.29 67.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 HD12 HG22 ' A' ' 24' ' ' VAL . 21.9 mt -70.16 -22.18 63.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -105.8 18.08 22.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.768 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -73.18 -30.33 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.58 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.52 -175.74 17.18 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.752 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_endo -63.37 121.19 8.9 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.844 2.363 . . . . 0.0 112.034 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -63.99 111.67 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.653 2.236 . . . . 0.0 111.934 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.94 -83.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -75.33 107.06 2.39 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.556 2.171 . . . . 0.0 111.716 175.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_exo -71.08 -26.84 21.02 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.123 2.549 . . . . 0.0 112.564 -175.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.9 64.27 3.39 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.407 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -94.95 120.84 6.58 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 7.1 Cg_exo -74.0 43.61 0.86 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.305 2.67 . . . . 0.0 113.109 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.56 -35.85 35.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.423 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.7 ttt -120.92 118.95 30.16 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 12.2 Cg_exo -70.2 113.66 3.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.653 2.235 . . . . 0.0 112.157 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 3.2 Cg_endo -84.94 79.43 2.38 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.331 2.687 . . . . 0.0 111.378 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.03 134.96 8.7 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -174.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.19 -135.46 5.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.317 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 99' ' ' ARG . 18.2 ttt180 -136.71 51.81 1.97 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.69 79.3 0.7 Allowed Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.681 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 101' ' ' ARG . 18.1 mmt180 -105.08 84.55 2.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.92 -127.86 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.498 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 63.64 75.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.66 0.743 . . . . 0.0 110.56 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.97 -128.16 3.76 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.18 79.66 1.82 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.15 0.5 . . . . 0.0 109.898 174.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.844 -177.374 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.603 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 103.983 -1.083 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.431 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C3'-C2'-C1' 102.939 1.599 . 0.059 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.695 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 106.1 3.4 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.695 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 122.936 2.697 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.726 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.879 1 C4'-C3'-C2' 106.854 4.154 . 0.177 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.249 -0.34 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.02 136.88 33.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.993 0.425 . . . . 0.0 111.107 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtm -109.72 128.57 55.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.58 42.49 20.64 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.456 0.646 . . . . 0.0 110.961 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -101.0 90.07 4.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.471 -174.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.77 11.22 4.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.407 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -80.92 56.61 2.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -133.63 99.87 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.36 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 pt -81.82 91.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.595 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.34 -149.53 11.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.421 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.8 73.48 2.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.154 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.62 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 124.08 107.82 1.78 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.158 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.423 HG21 ' HB1' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG13 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.541 ' HA ' HG11 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.485 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.541 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.49 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.83 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.534 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.639 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.534 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.83 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.435 HD13 HD13 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -117.94 117.29 28.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.78 102.06 5.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 171.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.668 ' HB3' ' HZ2' ' A' ' 47' ' ' LYS . 7.8 mtpm? -73.63 120.65 19.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.57 -175.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.36 115.68 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.523 . . . . 0.0 109.98 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.49 167.33 16.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.209 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -121.94 38.05 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 31.3 22.38 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.686 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.3 p -106.69 95.02 5.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.51 153.17 29.8 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.59 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.421 ' HG2' ' CD ' ' A' ' 55' ' ' GLU . 72.8 Cg_endo -76.34 -17.14 16.92 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.608 2.206 . . . . 0.0 111.855 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.421 ' CD ' ' HG2' ' A' ' 54' ' ' PRO . 28.0 mp0 -104.16 -179.78 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.603 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.529 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.516 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.469 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.587 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.403 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.3 m120 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.587 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t -71.92 -21.66 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.512 HD12 HG22 ' A' ' 24' ' ' VAL . 22.9 mt -78.14 -31.95 50.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.286 0.565 . . . . 0.0 109.538 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -76.45 -42.35 44.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.855 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.5 t -159.58 99.2 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.389 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.432 ' HA2' ' HD3' ' A' ' 85' ' ' PRO . . . -76.29 143.12 29.15 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.784 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.432 ' HD3' ' HA2' ' A' ' 84' ' ' GLY . 6.9 Cg_exo -72.75 113.09 3.65 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.825 2.35 . . . . 0.0 111.705 178.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -79.03 54.63 5.25 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 123.171 2.581 . . . . 0.0 111.529 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.3 -157.61 27.36 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.54 115.76 4.07 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.899 2.399 . . . . 0.0 112.312 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 113.01 2.41 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.789 2.326 . . . . 0.0 111.895 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.68 -121.39 0.65 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.708 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.75 -166.33 17.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.636 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 66.36 7.36 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.938 2.425 . . . . 0.0 112.028 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.64 82.66 0.15 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.89 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.6 mtt -104.87 134.53 19.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.54 113.11 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.679 2.253 . . . . 0.0 112.972 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.92 124.44 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.914 2.409 . . . . 0.0 111.412 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 154.55 -176.24 32.4 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.818 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.68 -176.79 17.26 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -150.29 152.05 33.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.063 0.459 . . . . 0.0 110.888 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.44 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . 171.77 56.3 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 75.3 mtm180 70.75 174.49 0.3 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.391 0.701 . . . . 0.0 109.499 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.41 -121.04 0.57 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.149 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -145.49 127.73 15.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.76 111.69 2.37 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.831 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -95.59 107.69 19.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.136 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.479 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 99.798 -1.892 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.485 ' O6 ' ' HA ' ' A' ' 20' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 108.427 1.448 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.745 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 105.645 2.945 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.745 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 P-O3'-C3' 122.949 2.707 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.641 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.935 1 C4'-C3'-C2' 106.914 4.214 . 0.209 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.6 -73.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.7 tpt -111.41 94.91 5.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 109.809 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.48 108.54 20.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.559 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -107.08 20.99 18.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.396 0.617 . . . . 0.0 109.994 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.1 102.18 0.79 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.646 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -89.2 -14.1 36.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -73.29 -54.5 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.508 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.851 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 28.0 pt -94.25 80.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.695 0.759 . . . . 0.0 110.819 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.434 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -93.91 -109.38 2.07 Favored Glycine 0 C--O 1.228 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.388 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.92 21.85 42.71 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.517 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 149.11 161.34 9.65 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.498 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.642 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.645 ' HA ' HG11 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.669 ' O ' HG23 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.645 HG11 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.701 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.669 HG23 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.421 ' HA ' HD22 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.757 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.515 ' HD2' ' OP1' ' B' ' 1' ' ' ' A' . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.67 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.443 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.757 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.588 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.463 HD11 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.553 HG12 HG21 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -139.07 116.53 11.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.689 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 74.7 m-85 -60.29 141.68 55.77 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.645 0.26 . . . . 0.0 110.311 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' HE2' ' CG2' ' A' ' 57' ' ' ILE . 37.5 mtmt -82.45 70.45 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.02 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 13.8 pt20 53.1 125.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.479 1.511 . . . . 0.0 113.744 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.57 74.36 5.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.005 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -86.83 -37.02 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.87 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.03 14.96 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.698 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.75 81.98 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 111.164 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.43 -175.56 16.19 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.58 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.16 -10.69 10.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.025 2.484 . . . . 0.0 112.619 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.5 153.4 28.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.472 ' O ' HG13 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.555 HG23 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.689 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.642 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.553 HG21 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.517 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.851 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.498 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.445 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.51 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.531 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 78' ' ' LEU . 10.3 m120 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.6 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.531 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -69.9 -27.1 64.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.6 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.3 mt -72.67 -27.72 62.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.418 0.628 . . . . 0.0 110.266 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -75.18 -35.37 61.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.752 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 m -104.77 -77.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.91 125.78 3.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.693 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.61 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 74.7 Cg_exo -49.22 -52.32 8.99 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.193 2.595 . . . . 0.0 114.078 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.61 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 91.8 Cg_endo -90.26 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.822 1.681 . . . . 0.0 112.635 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.562 ' O ' ' HD3' ' A' ' 89' ' ' PRO . . . -100.26 -105.38 2.71 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.28 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.448 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 47.6 Cg_endo -98.07 97.34 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.697 2.931 . . . . 0.0 112.62 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 1.1 Cg_endo -84.2 43.87 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.121 2.547 . . . . 0.0 111.925 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.74 83.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.128 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.71 65.71 0.3 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.965 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.434 ' HG3' ' HA ' ' A' ' 89' ' ' PRO . 2.9 Cg_exo -74.5 105.98 2.16 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.989 2.459 . . . . 0.0 111.398 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.86 52.99 4.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.552 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.477 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 94.6 mmm -80.21 -50.48 1.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 119.584 -0.246 . . . . 0.0 110.69 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.477 ' HD2' ' N ' ' A' ' 94' ' ' MET . 27.8 Cg_endo -64.89 114.03 2.61 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.792 1.661 . . . . 0.0 111.437 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -85.0 -1.94 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.814 2.343 . . . . 0.0 113.151 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.62 88.13 1.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.71 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.33 -41.36 0.36 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.911 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 99' ' ' ARG . 72.0 mtm-85 -117.88 146.99 43.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 0.0 110.746 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.01 -130.58 1.36 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.12 127.3 12.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.986 0.393 . . . . 0.0 109.966 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.59 138.96 14.68 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.262 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -87.89 108.84 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 105' ' ' GLN . . . 108.92 43.95 1.16 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 53.5 mt-30 74.51 132.24 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.638 0.775 . . . . 0.0 111.626 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.308 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.515 ' OP1' ' HD2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.335 -0.832 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.701 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 102.98 1.644 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.73 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 105.671 2.971 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.73 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 P-O3'-C3' 122.482 2.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.687 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.891 1 C4'-C3'-C2' 106.851 4.151 . 0.251 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.92 62.01 2.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.383 0.611 . . . . 0.0 110.343 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.04 128.03 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.49 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.12 96.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.95 0.782 . . . . 0.0 112.45 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -88.48 12.24 14.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.161 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.53 36.83 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.65 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.1 p -120.1 31.45 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.915 0.388 . . . . 0.0 111.292 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -81.29 103.29 10.96 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.564 HG13 ' HB3' ' A' ' 64' ' ' PRO . 27.6 pt -120.14 3.23 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.27 115.58 4.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.891 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.82 54.31 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.291 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.97 160.49 16.9 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.242 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.514 HG23 ' HA ' ' A' ' 9' ' ' ILE . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.429 ' HB3' HG21 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.624 ' HA ' HG11 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG23 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.624 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.566 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.554 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.857 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.484 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.617 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.589 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.418 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.857 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.58 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 HG22 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.58 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -127.95 133.62 49.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.8 137.69 40.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.568 ' HD3' HG23 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.52 174.89 6.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.628 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -106.14 39.87 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.727 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.0 111.99 2.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -76.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.15 45.44 0.52 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 t -75.22 -2.65 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.082 0.467 . . . . 0.0 110.811 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.38 173.32 41.91 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.64 2.9 6.43 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.734 2.289 . . . . 0.0 112.571 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -106.0 168.26 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.568 HG23 ' HD3' ' A' ' 47' ' ' LYS . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.482 HG22 ' HB2' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.461 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.564 ' HB3' HG13 ' A' ' 9' ' ' ILE . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.461 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.429 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.482 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.541 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.541 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p -78.8 -22.6 46.02 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.601 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 57.6 mt -84.01 -42.42 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.7 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -72.28 -21.64 61.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.392 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -87.01 146.36 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.17 -166.55 11.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.91 117.64 4.72 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.342 2.028 . . . . 0.0 111.802 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.12 126.47 19.04 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.032 2.488 . . . . 0.0 112.31 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.73 -126.9 2.57 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.56 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 37.3 Cg_exo -55.63 -53.94 4.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.502 2.135 . . . . 0.0 113.572 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 6.1 Cg_endo -88.48 -41.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.401 2.068 . . . . 0.0 113.177 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.401 ' H ' ' HD2' ' A' ' 89' ' ' PRO . . . -84.61 103.37 2.64 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.4 -176.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.67 -83.47 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.988 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.35 113.64 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.082 2.521 . . . . 0.0 112.846 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.27 145.99 16.29 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.4 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 23.0 ptp -156.32 134.13 6.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.702 0.751 . . . . 0.0 112.057 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 10.1 Cg_endo -91.43 107.24 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.385 2.723 . . . . 0.0 110.433 167.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.38 72.75 0.87 Allowed 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.968 2.445 . . . . 0.0 113.031 -175.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.85 133.71 10.62 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.627 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.33 -63.13 4.47 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.2 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -92.57 134.19 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.703 0.287 . . . . 0.0 110.343 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.08 -161.65 24.62 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.654 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 101' ' ' ARG . 38.5 mtp180 -84.97 -20.6 30.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.997 0.427 . . . . 0.0 110.123 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.11 -144.88 6.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.962 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -84.51 -27.93 27.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 0.0 110.055 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.05 -79.76 0.36 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.841 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 62.84 79.8 0.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.738 0.415 . . . . 0.0 111.678 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.354 178.499 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.489 " C1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 99.847 -1.837 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.617 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 103.018 1.686 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.783 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 105.727 3.027 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.783 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 P-O3'-C3' 122.575 2.396 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.686 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 1 C4'-C3'-C2' 106.899 4.199 . 0.228 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.83 84.96 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.3 mmm -80.14 74.41 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.945 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.11 81.38 7.35 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -82.47 16.83 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.224 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.4 -135.86 2.13 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.113 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 p -61.75 139.85 58.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -84.33 75.52 10.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.546 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.15 141.41 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.191 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 170.82 27.62 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.54 71.21 2.34 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.117 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.583 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 104.25 98.56 2.52 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG11 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.515 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.856 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.707 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.856 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.529 HD13 HD13 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.614 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.614 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -119.27 108.46 14.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.35 120.84 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.582 ' HD3' HG23 ' A' ' 57' ' ' ILE . 55.6 mtpt -88.46 176.38 7.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.475 0.655 . . . . 0.0 111.849 -171.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -110.1 76.61 1.0 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.511 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.26 173.89 6.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.543 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -165.75 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.23 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.536 HG22 HG12 ' A' ' 57' ' ' ILE . 11.2 t -153.01 32.38 0.48 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.61 0.719 . . . . 0.0 110.285 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.05 -167.25 22.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.724 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.575 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 43.4 Cg_endo -85.26 7.23 5.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.288 2.659 . . . . 0.0 112.608 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.575 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 10.0 mp0 -103.82 172.6 6.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 -177.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.582 HG23 ' HD3' ' A' ' 47' ' ' LYS . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.449 ' O ' HG23 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.467 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.509 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.583 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.468 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.546 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.592 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.8 m120 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.592 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m -69.59 -16.9 63.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.45 -11.12 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.171 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.507 ' HG2' ' O ' ' A' ' 78' ' ' LEU . 22.3 mmt180 -86.61 44.4 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.587 -172.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 m -63.74 113.6 3.49 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.9 173.21 22.26 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.081 -1.057 . . . . 0.0 113.283 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -77.08 133.52 13.65 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.216 2.611 . . . . 0.0 111.725 178.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -86.65 151.37 8.8 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.628 2.219 . . . . 0.0 112.629 -179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.495 ' N ' ' HD3' ' A' ' 88' ' ' PRO . . . -148.09 56.71 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.017 174.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' HD3' ' N ' ' A' ' 87' ' ' GLY . 1.7 Cg_endo -84.96 124.86 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.972 2.448 . . . . 0.0 112.353 -175.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.22 142.47 10.81 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.569 2.179 . . . . 0.0 111.896 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.86 -150.36 16.89 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.305 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.19 -123.45 0.8 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.93 127.9 16.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.589 2.193 . . . . 0.0 111.761 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.71 138.7 9.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.368 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -130.3 80.07 71.31 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.256 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -74.86 131.82 14.91 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.535 2.156 . . . . 0.0 112.431 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_exo -61.35 128.79 26.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.774 2.316 . . . . 0.0 111.563 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.9 -51.32 4.29 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.68 -125.66 13.73 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.876 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -116.93 13.75 14.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.37 124.79 5.83 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.845 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -85.38 108.18 17.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.18 72.96 1.23 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.535 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 109.771 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.98 114.57 4.23 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.392 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 67.71 19.86 9.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.924 0.49 . . . . 0.0 111.125 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.404 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.548 " H1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.948 -1.724 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.508 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 103.428 2.142 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.762 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 105.639 2.939 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.762 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 P-O3'-C3' 122.687 2.489 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.958 1 C4'-C3'-C2' 106.975 4.275 . 0.035 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 44.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ttt -156.02 82.57 1.0 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.85 175.42 0.26 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.544 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 57.51 54.34 6.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 110.994 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.18 148.45 48.91 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.664 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.1 m -73.52 -44.31 57.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.594 0.235 . . . . 0.0 110.629 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.411 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 10.9 tpt180 -103.71 100.54 10.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.025 0.441 . . . . 0.0 110.179 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 64' ' ' PRO . 9.1 pt -121.45 -9.58 9.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.207 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.79 116.15 7.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.0 67.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.415 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 108.13 166.71 21.34 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.018 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.487 ' HB3' HG21 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.456 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.425 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.506 ' O ' HG23 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.629 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.457 HG11 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.756 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.576 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.416 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.756 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.432 HD11 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.39 129.32 26.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -75.01 130.36 39.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.642 ' HZ1' ' HB3' ' A' ' 47' ' ' LYS . 9.1 mtpm? -85.88 67.81 10.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.858 0.361 . . . . 0.0 111.033 -178.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 66.24 179.63 0.21 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.306 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.13 103.07 5.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.413 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.32 -52.91 62.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.504 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.24 -35.65 2.2 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.7 p -95.09 163.52 13.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.277 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.06 148.92 24.63 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.165 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -86.28 -25.8 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.812 2.341 . . . . 0.0 112.081 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -115.82 157.91 23.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.145 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.412 ' CE ' HG12 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.509 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.45 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.612 ' HB3' HD13 ' A' ' 9' ' ' ILE . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.45 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.577 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.429 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.553 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.675 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m -79.73 -43.06 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.675 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.4 mt -63.19 -67.45 0.42 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.927 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 61.07 75.07 0.43 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.56 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -64.34 104.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -168.44 -59.24 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.376 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 18.6 Cg_endo -59.55 154.03 50.96 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.882 2.388 . . . . 0.0 112.375 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.41 85.34 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.003 2.469 . . . . 0.0 112.537 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.33 -131.92 10.89 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.782 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.496 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 44.1 Cg_endo -69.98 143.42 49.74 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.359 2.039 . . . . 0.0 112.183 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.2 Cg_exo -71.47 -1.2 9.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.249 2.633 . . . . 0.0 112.77 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.47 147.69 21.57 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.918 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.01 150.14 19.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.215 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.02 -58.61 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.055 2.503 . . . . 0.0 112.035 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.18 59.75 0.63 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 27.3 ttt -78.85 119.61 77.89 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.747 0.308 . . . . 0.0 111.275 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -76.81 143.68 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.393 2.062 . . . . 0.0 110.913 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.16 110.57 0.71 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.831 2.354 . . . . 0.0 111.956 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.86 155.45 25.55 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.71 77.2 1.48 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.142 -0.551 . . . . 0.0 111.832 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -76.93 78.55 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.235 0.54 . . . . 0.0 111.052 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.73 136.71 13.1 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.224 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -106.48 124.92 50.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.08 61.86 0.85 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.041 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -83.03 69.66 9.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.017 0.436 . . . . 0.0 110.723 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.49 -42.81 1.95 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.634 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.39 48.03 21.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.181 0.515 . . . . 0.0 111.187 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.671 -179.328 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.548 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 100.223 -1.419 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 104.384 3.204 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.87 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 106.865 -3.039 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.87 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 P-O3'-C3' 122.683 2.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.656 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.964 1 C4'-C3'-C2' 106.967 4.267 . 0.08 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.8 -32.88 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.725 -0.28 . . . . 0.0 111.416 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttm -107.65 -56.39 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.48 . . . . 0.0 110.544 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.03 63.54 4.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.967 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -107.46 133.04 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.066 0.46 . . . . 0.0 110.249 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.64 44.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -90.33 61.09 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.307 0.575 . . . . 0.0 110.48 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -89.6 167.39 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.808 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.51 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 13.4 pt -130.36 93.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.425 0.631 . . . . 0.0 111.224 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.616 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -106.49 -118.32 4.38 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.537 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.41 20.55 40.31 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.46 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . 155.75 165.12 13.96 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.473 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.495 ' HB3' HG21 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG21 ' HB1' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.641 ' HA ' HG11 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.623 ' O ' HG23 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.641 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.488 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.816 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.478 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.697 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.816 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.699 HD13 HD13 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.621 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.595 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.621 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -118.28 114.85 23.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.29 106.52 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.443 ' HD3' HG23 ' A' ' 57' ' ' ILE . 26.3 mtpp -74.39 116.93 15.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 6.4 tp60 -70.8 127.73 33.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.12 149.15 24.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.706 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -108.42 34.17 3.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.421 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.47 17.43 55.06 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -18.41 64.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.984 -172.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.55 168.99 38.05 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.812 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 81.2 Cg_endo -76.04 -13.14 19.42 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.777 2.318 . . . . 0.0 111.815 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 22.7 mp0 -108.38 163.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.297 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.435 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.45 HG22 ' HB2' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.484 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.616 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.595 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.473 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.45 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.551 ' HB ' HG21 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.695 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -82.62 -27.83 31.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.695 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 29.2 mt -80.63 -67.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.209 0.528 . . . . 0.0 110.908 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 64.21 5.07 2.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.546 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t 52.02 42.98 30.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.12 -126.15 5.62 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.31 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 40.5 Cg_endo -68.61 128.56 17.3 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.664 2.243 . . . . 0.0 112.107 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 28.0 Cg_exo -61.77 107.76 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 111.87 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 164.34 12.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.191 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 90.6 Cg_endo -81.1 156.72 20.06 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.924 2.416 . . . . 0.0 112.101 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 3.1 Cg_exo -75.58 54.56 3.96 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.098 2.532 . . . . 0.0 111.986 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.51 -120.92 2.48 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.782 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.438 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . 169.25 -118.07 0.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.67 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 8.3 Cg_exo -71.94 76.81 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 123.24 2.627 . . . . 0.0 112.398 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.14 -156.55 9.5 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.746 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 55.22 67.47 3.11 Favored Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.839 0.455 . . . . 0.0 111.204 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.78 117.98 5.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.606 2.204 . . . . 0.0 112.394 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.431 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 72.5 Cg_endo -80.13 87.18 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.802 2.335 . . . . 0.0 112.255 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.88 -16.93 34.27 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.971 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.24 -108.93 0.9 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -93.27 51.08 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.741 0.781 . . . . 0.0 109.858 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.431 ' HA3' ' HB2' ' A' ' 96' ' ' PRO . . . -132.88 28.54 3.35 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.05 125.72 2.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -175.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.32 -151.85 24.04 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.638 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -89.61 123.71 33.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.58 -141.3 8.78 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 173.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.53 4.79 22.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.999 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.72 177.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.445 " H1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.412 -2.321 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.537 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 104.285 3.095 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.895 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 105.724 3.024 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.895 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 122.704 2.503 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.735 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.874 1 C4'-C3'-C2' 107.055 4.355 . 0.224 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.11 117.05 33.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.589 0.233 . . . . 0.0 110.936 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mmm 57.46 43.55 22.79 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.39 -46.9 3.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.303 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 47.25 59.84 3.82 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.761 0.663 . . . . 0.0 111.268 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.5 -130.12 6.45 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.678 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t 60.43 50.07 6.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.499 0.666 . . . . 0.0 109.354 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.586 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 45.7 ttp180 -152.49 82.37 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.29 -175.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.545 ' H ' ' CB ' ' A' ' 64' ' ' PRO . 47.6 mm -98.76 -25.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.417 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . 157.66 -167.01 34.05 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.289 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.86 0.62 56.45 Favored Glycine 0 N--CA 1.454 -0.127 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.457 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 170.65 135.15 1.87 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.418 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' HB3' HG21 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.416 HG11 ' O ' ' A' ' 17' ' ' VAL . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.65 ' HA ' HG11 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.65 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.5 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.6 HG13 HD21 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.856 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.601 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.632 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.856 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.437 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.491 HD11 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.569 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -136.09 130.82 33.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.95 129.67 38.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.317 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -92.84 164.82 13.19 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.002 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -89.78 137.65 32.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.213 0.53 . . . . 0.0 111.236 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.64 122.65 46.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.101 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -119.33 36.83 4.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.187 0.517 . . . . 0.0 109.843 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.21 38.66 2.42 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.429 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 p -87.08 -19.98 27.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.425 0.631 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.62 -157.22 29.22 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -89.96 1.21 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.737 2.291 . . . . 0.0 112.14 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -112.93 169.81 8.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 -175.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.457 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.46 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.586 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.418 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.498 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.583 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.587 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.607 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.587 HD13 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m -81.8 -18.65 43.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.607 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.9 mt -76.34 -46.0 29.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.073 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -68.27 138.59 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.359 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.8 t -75.31 109.54 8.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.83 -178.45 51.13 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.553 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.05 126.38 10.53 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.925 2.417 . . . . 0.0 111.965 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.88 126.5 13.98 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.609 2.206 . . . . 0.0 111.218 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.9 115.84 0.4 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.196 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.445 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 56.8 Cg_endo -70.73 131.72 20.4 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.778 2.319 . . . . 0.0 112.231 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.3 Cg_exo -71.64 -22.14 24.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.868 2.379 . . . . 0.0 111.479 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.23 99.46 0.23 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.533 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.45 157.33 22.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.16 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.47 134.81 49.96 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.937 2.424 . . . . 0.0 111.852 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.54 42.82 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.931 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.7 ' HB2' ' HD3' ' A' ' 95' ' ' PRO . 89.8 mtp -76.13 -51.38 2.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.995 -0.12 . . . . 0.0 110.684 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.7 ' HD3' ' HB2' ' A' ' 94' ' ' MET . 17.9 Cg_exo -67.92 134.85 33.35 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.928 1.752 . . . . 0.0 111.212 172.692 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 8.2 Cg_exo -72.9 66.19 4.04 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.183 2.589 . . . . 0.0 112.518 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.18 54.0 4.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.625 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.34 80.43 0.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -82.54 58.1 4.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.081 0.467 . . . . 0.0 111.322 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.86 175.33 41.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.632 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 15.0 ptt85 -90.84 -26.18 19.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 0.0 110.618 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 -112.41 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.736 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -100.76 -18.65 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.113 0.482 . . . . 0.0 110.104 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . 0.413 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . -81.99 131.61 10.53 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.908 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -90.43 -36.1 14.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 -177.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.071 -178.805 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.601 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.414 -1.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.464 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.824 1.017 . 0.081 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.777 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 105.8 3.1 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.777 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 P-O3'-C3' 122.353 2.211 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.571 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.837 1 C4'-C3'-C2' 106.841 4.141 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.71 40.27 1.41 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.455 0.645 . . . . 0.0 110.135 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -85.29 47.65 1.45 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.896 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.27 -23.09 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -157.19 137.91 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.532 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.65 -5.99 82.21 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.765 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 p -78.95 121.01 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.006 0.431 . . . . 0.0 110.792 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.4 mtp-105 -125.33 137.76 54.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.869 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.488 ' HA ' HG23 ' A' ' 13' ' ' ILE . 26.7 pt -97.61 14.5 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.61 64.79 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.438 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.589 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . 141.93 -138.89 8.9 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.429 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -65.27 122.62 23.86 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.467 175.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.488 HG23 ' HA ' ' A' ' 9' ' ' ILE . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.471 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.573 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.589 ' O ' HG23 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG22 HD12 ' A' ' 81' ' ' LEU . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.663 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.851 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.464 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.851 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.535 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.47 HD11 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.418 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -132.58 126.94 33.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 80.3 m-85 -70.33 136.4 49.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.656 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 9.0 mtpm? -75.11 118.76 18.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.315 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.656 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 43.95 -153.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.271 0.982 . . . . 0.0 112.181 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.81 48.3 1.24 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.02 139.16 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.554 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.27 33.2 2.18 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.7 p -91.72 -39.29 11.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.95 164.45 34.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.28 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 86.2 Cg_endo -72.16 -20.38 24.96 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.344 2.029 . . . . 0.0 110.585 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.54 ' OE1' ' HG2' ' A' ' 54' ' ' PRO . 5.6 mp0 -114.61 169.25 9.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.402 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.5 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.429 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.496 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.589 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.404 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.57 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.663 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.57 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p -74.28 -27.94 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.624 HD12 HG22 ' A' ' 24' ' ' VAL . 32.9 mt -70.37 -28.67 65.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.248 0.546 . . . . 0.0 110.363 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -73.26 121.86 21.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.903 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -135.33 91.72 2.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.934 0.397 . . . . 0.0 110.24 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.13 45.46 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -69.91 128.07 15.38 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -76.73 49.96 2.88 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.332 2.688 . . . . 0.0 112.397 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.437 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 152.87 -120.75 1.09 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 12.7 Cg_exo -70.13 145.53 55.25 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.79 2.327 . . . . 0.0 112.15 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -70.2 -5.05 15.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.959 2.439 . . . . 0.0 112.172 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.57 84.6 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -111.4 154.1 16.88 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 121.043 -0.598 . . . . 0.0 111.811 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.28 119.55 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.068 2.512 . . . . 0.0 112.178 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.85 -56.39 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.4 mmt -122.6 80.39 47.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -63.25 120.5 7.98 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.972 2.448 . . . . 0.0 113.157 -174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 6.2 Cg_exo -79.77 176.65 9.26 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.266 2.644 . . . . 0.0 111.84 177.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.86 -17.57 29.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 72.5 2.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.856 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -97.88 123.02 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.75 0.31 . . . . 0.0 110.31 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.84 -171.6 39.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.76 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -88.25 95.76 10.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.085 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.61 -7.86 65.91 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.309 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 103' ' ' ARG . 47.2 mtt180 68.41 -71.55 0.11 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.646 0.778 . . . . 0.0 111.594 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.05 -166.95 37.95 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.12 58.27 4.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.23 0.538 . . . . 0.0 111.418 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.22 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.582 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.553 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 104.093 1.393 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.611 " H4'" " C5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.031 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.611 " C5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 P--O3' 1.616 0.747 1 P-O3'-C3' 125.238 4.615 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.701 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 1 C4'-C3'-C2' 106.94 4.24 . 0.236 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 80.42 6.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 111.031 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.44 -42.48 5.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.737 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.24 77.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.702 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -109.01 57.02 0.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.489 0.662 . . . . 0.0 110.7 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.522 ' HA2' HG21 ' A' ' 9' ' ' ILE . . . -84.63 60.06 4.85 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.42 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p -85.54 119.17 25.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 71.64 -47.57 0.66 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.546 0.738 . . . . 0.0 111.024 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.746 HG13 ' HB3' ' A' ' 64' ' ' PRO . 1.8 tp -64.86 111.99 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 109.742 172.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.563 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . -147.47 115.12 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.148 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.509 ' H ' ' HG3' ' A' ' 64' ' ' PRO . . . 80.53 -144.37 25.48 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.809 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.519 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -81.37 145.58 25.47 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.184 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.534 HD11 HD11 ' A' ' 9' ' ' ILE . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG11 HG13 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.589 ' HA ' HG11 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.486 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.589 HG11 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.499 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.652 HG23 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.59 HG13 HD23 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.861 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.461 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.512 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.44 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.861 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.61 HD13 HD13 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.419 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -121.61 116.61 24.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -71.19 135.48 47.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.483 -179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.437 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 61.4 mttm -83.67 92.84 7.78 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.135 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.13 67.09 3.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.068 0.937 . . . . 0.0 110.26 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -102.87 90.14 3.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.41 -1.268 . . . . 0.0 107.852 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 129.24 38.29 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 -169.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.82 13.99 38.5 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.118 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -86.14 28.14 0.85 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.481 0.658 . . . . 0.0 111.398 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.81 -169.22 12.87 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.909 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.427 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 91.1 Cg_endo -79.21 -8.05 15.19 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.961 2.441 . . . . 0.0 111.699 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -120.61 162.96 18.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.717 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.574 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.437 ' CG2' ' HD2' ' A' ' 47' ' ' LYS . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.519 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.459 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.518 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.746 ' HB3' HG13 ' A' ' 9' ' ' ILE . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.518 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.734 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.501 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.417 ' HA ' HD13 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.734 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.604 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.402 HD21 ' HA ' ' A' ' 75' ' ' ASN . 7.9 m120 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.59 HD23 HG13 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.416 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m -73.91 -29.77 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 35.7 mt -70.61 -26.82 63.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.469 ' HG3' ' O ' ' A' ' 78' ' ' LEU . 99.3 mtt180 -70.85 106.39 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.797 -175.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -118.09 101.9 8.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.88 -148.73 10.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.325 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.95 134.26 33.86 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.974 2.449 . . . . 0.0 112.171 -178.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_exo -70.17 109.33 2.36 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.908 2.405 . . . . 0.0 111.77 176.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.85 88.65 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -61.95 117.63 4.48 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.968 2.445 . . . . 0.0 112.563 -176.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_endo -84.6 66.9 6.55 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.978 2.452 . . . . 0.0 111.74 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.43 100.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.756 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.53 83.6 1.39 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.38 -3.49 13.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.592 2.195 . . . . 0.0 113.28 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.22 65.32 3.34 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.388 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 19.2 mmt 64.12 87.71 0.12 Allowed Pre-proline 0 N--CA 1.464 0.23 0 C-N-CA 123.225 0.61 . . . . 0.0 111.703 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.75 133.95 14.52 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.051 2.501 . . . . 0.0 111.303 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 114.79 2.54 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.655 2.237 . . . . 0.0 112.147 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -134.03 -173.72 13.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.101 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.98 156.79 27.31 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.024 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 57.41 60.8 2.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.158 0.504 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.37 44.83 2.74 Favored Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.092 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -105.75 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.78 4.7 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.717 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -92.55 -179.31 5.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.02 -102.23 2.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -104.4 -24.37 13.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 0.0 110.176 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.35 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.484 " H1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.808 1.006 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.499 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C4'-C3'-C2' 104.578 1.878 . 0.018 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.868 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 105.771 3.071 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.868 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 P-O3'-C3' 122.142 2.035 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.638 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 1 C4'-C3'-C2' 106.961 4.261 . 0.189 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.96 -63.06 0.41 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.458 0.703 . . . . 0.0 111.753 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 mtm -120.17 80.68 1.63 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 0.0 111.055 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.6 84.5 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -64.38 108.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.55 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.64 -152.62 6.84 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.561 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -125.02 130.29 52.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.073 0.463 . . . . 0.0 110.268 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -89.65 146.99 24.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.535 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm 68.43 105.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 123.843 0.714 . . . . 0.0 111.455 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.63 176.15 41.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.438 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.9 71.89 1.88 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.03 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.532 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 125.52 105.48 1.52 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG21 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.483 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG13 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.649 ' HA ' HG11 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG23 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.67 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.69 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.792 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.412 ' HB2' ' CD ' ' A' ' 31' ' ' GLU . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.762 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.591 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.462 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.792 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.591 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 32' ' ' MET . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.482 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -125.84 124.1 40.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -73.62 117.33 15.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.442 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HD3' HG23 ' A' ' 57' ' ' ILE . 49.2 mtpt -70.86 123.05 21.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.15 135.91 43.11 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.581 0.55 . . . . 0.0 111.488 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.604 ' O ' HG21 ' A' ' 52' ' ' THR . 15.8 t0 -61.69 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -168.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 t70 63.24 17.93 10.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 110.848 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.41 48.96 3.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.228 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 49' ' ' ASP . 9.2 p -68.09 -56.87 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 111.42 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.43 -152.34 11.4 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.64 -19.79 11.11 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.91 2.407 . . . . 0.0 111.976 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -112.66 171.54 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.531 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.513 HG23 ' HD3' ' A' ' 47' ' ' LYS . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.513 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.532 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.623 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.623 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.495 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.403 ' HA ' HD13 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.69 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p -79.82 -21.08 44.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.6 mt -78.4 -29.49 47.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 110.327 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -94.66 147.27 23.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.062 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 68.72 7.84 6.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.491 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.14 75.08 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.757 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -61.41 125.76 17.62 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.453 2.102 . . . . 0.0 111.788 178.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.24 54.97 2.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.28 2.653 . . . . 0.0 113.199 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.55 -82.2 0.75 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.659 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 47.3 Cg_exo -55.02 -52.95 6.76 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.641 2.227 . . . . 0.0 112.768 173.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.659 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 3.8 Cg_exo -77.83 69.09 7.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.155 1.903 . . . . 0.0 111.56 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -148.72 -156.69 7.23 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.73 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.55 131.98 1.45 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.68 26.05 0.63 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.003 2.469 . . . . 0.0 112.942 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.08 -131.2 10.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.92 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.532 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 16.8 tpt -141.47 113.2 6.63 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.496 0.189 . . . . 0.0 110.624 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -92.29 101.53 0.19 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.524 2.816 . . . . 0.0 111.891 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.532 ' HD3' ' O ' ' A' ' 94' ' ' MET . 3.6 Cg_exo -80.82 88.95 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.058 2.506 . . . . 0.0 111.675 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.45 -56.35 2.84 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.206 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.11 73.76 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.508 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -106.65 116.95 32.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.44 70.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.068 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.28 102.49 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.834 0.35 . . . . 0.0 111.032 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.16 -162.3 44.13 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.989 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -121.09 -41.18 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.13 -136.82 7.5 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.429 0.633 . . . . 0.0 109.965 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.059 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.446 " H1'" HG13 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 100.991 -1.709 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.67 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.476 1.483 . 0.022 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.785 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.905 3.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.785 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O3'-C3' 122.288 2.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.684 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.018 1 C4'-C3'-C2' 106.955 4.255 . 0.191 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.48 56.65 7.05 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.854 0.462 . . . . 0.0 111.671 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.3 ttm -142.51 -82.4 0.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.558 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.83 157.45 11.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 111.692 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -130.09 120.41 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.555 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 138.56 14.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 m -94.92 92.86 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.081 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 8' ' ' ARG . 52.5 mtt180 -98.12 -59.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.367 -178.284 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -115.04 6.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.828 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.82 117.38 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.651 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 -7.44 75.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.448 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.436 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 138.92 170.77 11.93 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG21 ' HB1' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.517 HG13 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.622 ' HA ' HG11 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.572 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.628 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.866 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.585 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.607 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.866 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.602 HD13 HD13 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.496 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.466 HD11 HD12 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -122.4 112.59 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 17' ' ' VAL . 6.3 m-85 -75.61 114.47 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.383 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -76.31 110.51 10.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -89.21 16.47 7.25 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.255 0.55 . . . . 0.0 111.366 -172.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -124.01 59.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.82 0.819 . . . . 0.0 108.963 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 117.18 26.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.241 -170.187 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.98 38.9 2.93 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 m -82.45 51.96 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 111.09 -175.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.54 -120.57 22.82 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.449 -0.796 . . . . 0.0 113.024 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.542 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 45.2 Cg_endo -88.44 -3.08 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.16 2.574 . . . . 0.0 113.144 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.542 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -119.13 160.38 22.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.517 ' O ' HG13 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.446 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.432 HG22 ' HB2' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.436 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.452 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.46 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.412 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.432 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.4 ' HB3' HD12 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.545 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.503 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m -74.46 -17.71 60.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 31.8 mt -89.25 -58.7 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.343 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 69.66 113.29 0.05 OUTLIER 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.314 1.009 . . . . 0.0 110.809 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 t -82.08 76.9 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.129 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.27 -133.19 1.52 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.82 120.33 7.49 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.59 2.193 . . . . 0.0 111.352 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.08 71.15 2.91 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.98 -122.14 6.82 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.47 125.62 5.74 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 112.64 179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -62.74 143.57 92.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.617 2.212 . . . . 0.0 110.756 173.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.8 -76.53 1.18 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.6 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.02 106.03 2.11 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.154 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.42 125.17 16.2 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.646 2.231 . . . . 0.0 111.73 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.2 113.24 4.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.33 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.444 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 20.7 ptm -100.2 122.65 49.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.474 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 4.5 Cg_exo -80.53 136.28 10.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.212 2.608 . . . . 0.0 112.078 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.2 Cg_endo -85.92 24.62 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.513 2.808 . . . . 0.0 112.595 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.62 151.75 5.7 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.964 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.03 139.88 14.81 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.924 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.2 mmt180 -88.88 55.58 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.398 0.618 . . . . 0.0 110.953 -176.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.35 87.74 0.31 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.101 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -114.7 120.48 40.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.708 0.289 . . . . 0.0 110.512 -175.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.51 -64.55 0.2 Allowed Glycine 0 C--N 1.321 -0.28 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -75.14 -44.44 46.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.78 -125.22 2.13 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.147 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -165.15 95.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.482 . . . . 0.0 110.63 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.316 178.501 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.585 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 101.361 -1.339 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.628 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 108.257 1.326 . 0.052 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.742 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.742 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 122.653 2.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.67 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 1 C4'-C3'-C2' 106.837 4.137 . 0.123 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.37 130.03 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.786 0.327 . . . . 0.0 110.631 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ttt -115.78 137.26 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.388 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.12 104.29 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.154 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.15 92.08 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.65 70.78 2.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.349 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -67.22 -35.02 78.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 110.599 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -114.9 95.53 5.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 tt -112.71 117.25 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.257 0.551 . . . . 0.0 110.804 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.88 163.78 36.29 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . -69.7 89.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.136 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 94.63 108.49 2.14 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' HB2' HG21 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.519 HG21 ' HB1' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.518 HG12 ' CE2' ' A' ' 46' ' ' PHE . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.42 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.596 ' HA ' HG11 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.578 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.782 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.674 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.651 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.513 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.782 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.547 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB1' HG23 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.529 HG11 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.547 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -129.24 133.14 47.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.518 ' CE2' HG12 ' A' ' 17' ' ' VAL . 4.4 m-85 -83.64 125.94 32.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -78.33 175.04 10.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.493 0.663 . . . . 0.0 110.339 177.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -138.64 64.35 1.49 Allowed 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.479 ' O ' HG21 ' A' ' 52' ' ' THR . 4.7 m-20 -50.9 129.57 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.53 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -74.68 87.89 2.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.41 67.85 0.37 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.479 HG21 ' O ' ' A' ' 49' ' ' ASP . 20.0 p -97.74 134.34 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.274 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' O ' ' HD3' ' A' ' 19' ' ' ARG . . . -86.04 -113.1 0.82 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.88 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.09 -33.09 0.34 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.428 2.085 . . . . 0.0 112.047 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.9 162.48 16.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.484 HG21 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB1' HG21 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.448 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.49 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.523 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.529 ' HB3' HG11 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.419 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 69' ' ' HIS . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD13 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.738 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.567 HD13 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -76.55 -16.0 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.738 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.3 mt -72.34 -23.5 61.15 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.097 0.475 . . . . 0.0 110.289 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 82' ' ' ARG . 12.0 mmm180 -82.71 90.81 6.9 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.134 -175.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 p -67.51 -50.61 58.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.189 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.98 -125.39 2.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.607 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.76 119.98 7.13 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.164 2.576 . . . . 0.0 112.666 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -84.94 52.47 3.42 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.378 2.718 . . . . 0.0 112.21 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.2 30.18 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.43 112.64 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.712 2.275 . . . . 0.0 111.923 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -91.77 58.81 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.197 2.598 . . . . 0.0 112.502 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.15 26.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.706 -178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.83 0.74 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.26 79.01 1.47 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 111.979 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.38 72.33 2.36 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 113.263 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.449 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 19.9 ptp -155.57 63.05 3.47 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.373 174.21 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.58 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 38.6 Cg_exo -60.68 -56.64 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.669 2.246 . . . . 0.0 113.877 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.58 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 89.4 Cg_endo -84.58 64.68 6.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.691 1.594 . . . . 0.0 112.147 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.83 -100.23 2.63 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.281 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 132.2 -117.45 2.05 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.591 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -150.9 109.77 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.708 0.289 . . . . 0.0 110.234 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.49 167.72 26.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.43 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -99.79 72.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.54 76.53 2.09 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.795 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -164.71 120.36 1.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 171.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 141.17 77.29 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.714 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -157.11 136.5 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.395 -179.697 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.674 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C4'-C3' 103.398 -1.502 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.532 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 103.291 1.99 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.85 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 105.893 3.193 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.85 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 122.184 2.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.6 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.873 4.173 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.11 -68.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.375 . . . . 0.0 110.962 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.9 mtp -111.16 123.3 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.35 -59.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -155.89 162.42 40.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.843 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.54 59.73 2.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.275 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -79.47 -37.83 35.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 111.388 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -149.4 49.11 0.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.17 0.51 . . . . 0.0 110.827 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.785 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -79.5 68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.396 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.56 72.38 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.748 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.31 -6.04 80.94 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.62 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.86 142.35 3.38 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.474 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.498 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.493 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.493 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG21 HD22 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.522 ' HA ' HG11 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.633 ' O ' HG23 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.567 ' HB ' ' O6 ' ' B' ' 3' ' ' ' G' . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.497 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.66 ' HA ' HD21 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.768 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.708 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.768 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.419 HD11 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.498 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -138.18 128.65 26.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.618 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 77.0 m-85 -62.29 130.4 45.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' HD3' HG23 ' A' ' 57' ' ' ILE . 26.5 mtpp -70.32 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.594 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -166.71 159.3 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.51 66.25 8.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.362 0.601 . . . . 0.0 110.332 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.09 139.11 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.043 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.96 32.02 5.89 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.923 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.7 46.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.191 0.52 . . . . 0.0 110.13 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 168.49 32.37 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.15 5.77 5.78 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.667 2.244 . . . . 0.0 112.883 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -112.52 166.14 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.469 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.498 ' CG2' ' HB2' ' A' ' 14' ' ' ASP . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.618 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.498 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.448 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.785 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . 0.474 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.474 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.437 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.41 HD21 ' HA ' ' A' ' 75' ' ' ASN . 8.4 m120 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.66 HD21 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.554 HD22 HG21 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t -72.76 -17.33 61.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.407 HD12 HG22 ' A' ' 24' ' ' VAL . 22.8 mt -101.61 -7.98 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.028 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -67.49 -39.21 85.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.215 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 p -134.17 142.64 47.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.994 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.85 167.88 23.93 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.546 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 57.0 Cg_exo -52.42 -48.29 22.6 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.186 2.591 . . . . 0.0 113.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 2.6 Cg_endo -83.05 26.11 0.66 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.119 1.879 . . . . 0.0 112.128 176.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.31 -164.76 11.09 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_endo -83.0 124.4 3.84 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.725 2.284 . . . . 0.0 112.553 -179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.62 -25.69 28.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.053 2.502 . . . . 0.0 112.002 175.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.16 -176.32 16.9 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.478 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.94 170.82 21.03 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.81 62.0 6.41 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.484 2.789 . . . . 0.0 111.976 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.85 67.59 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.173 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 94' ' ' MET . 16.6 ptp -146.46 88.88 6.01 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.124 0.487 . . . . 0.0 110.745 177.566 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.426 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 88.4 Cg_exo -48.21 -47.67 18.99 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.224 2.616 . . . . 0.0 113.782 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 73.6 Cg_endo -75.3 65.27 6.33 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.72 1.613 . . . . 0.0 111.852 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.83 129.58 38.81 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.82 -6.6 82.82 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.036 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -116.66 -35.5 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.087 0.47 . . . . 0.0 110.282 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.39 -141.36 19.72 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.248 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -98.57 126.26 44.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.063 0.459 . . . . 0.0 110.171 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.4 -9.37 83.7 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.723 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -125.02 104.61 8.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.84 119.98 2.81 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.662 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -101.0 35.1 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 110.419 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.639 -179.571 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.51 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.515 -1.095 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.497 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 107.886 1.061 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.76 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 105.584 2.884 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.76 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 122.605 2.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.67 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.045 1 C4'-C3'-C2' 106.772 4.072 . 0.193 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.75 -15.97 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -102.68 24.21 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.604 0.716 . . . . 0.0 110.097 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.56 79.15 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -135.24 92.12 2.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.779 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.25 112.99 3.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.198 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 p -91.63 78.93 5.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.451 0.643 . . . . 0.0 110.293 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -94.47 103.91 15.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.443 ' O ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -100.65 73.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.389 0.614 . . . . 0.0 110.608 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.08 -146.25 17.88 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.122 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.11 19.95 15.25 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.682 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.546 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 179.31 103.64 0.17 Allowed Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.401 HG23 ' HA ' ' A' ' 9' ' ' ILE . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG21 HD22 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.415 ' HD2' HD23 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.616 ' HA ' HG11 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.64 ' O ' HG23 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.616 HG11 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.48 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.755 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.67 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.478 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.67 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.481 HG21 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.569 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.417 HG22 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -115.98 108.58 16.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CE2' HG12 ' A' ' 17' ' ' VAL . 3.2 m-85 -65.38 132.53 49.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.049 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 6.8 mtmp? -79.85 118.44 21.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.89 13.18 1.82 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -171.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -170.8 114.89 0.44 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.497 ' HB3' ' NZ ' ' A' ' 47' ' ' LYS . 3.2 p30 -164.22 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.796 173.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.71 52.61 15.08 Favored Glycine 0 N--CA 1.452 -0.247 0 O-C-N 123.606 0.566 . . . . 0.0 112.223 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -74.56 68.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.534 0.683 . . . . 0.0 111.122 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.53 -129.78 9.39 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -90.21 17.62 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.872 2.381 . . . . 0.0 111.807 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.67 163.59 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.517 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.546 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' MET . . . . . 0.519 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.443 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.569 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.461 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.503 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' HB ' HG21 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 HD13 HD12 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.724 HD22 HG21 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -83.76 -19.85 34.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.556 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 45.5 mt -90.83 -53.51 4.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 82' ' ' ARG . 50.9 mtm180 67.92 -81.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.553 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -112.33 148.43 34.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -97.14 163.78 22.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.363 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.64 108.25 1.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.39 2.727 . . . . 0.0 112.165 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 60.9 Cg_endo -75.19 115.3 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.514 2.143 . . . . 0.0 111.835 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.58 -150.32 5.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.81 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.436 ' HB3' ' HB3' ' A' ' 92' ' ' PRO . 35.9 Cg_exo -60.84 115.28 2.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.874 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.77 91.24 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.601 2.201 . . . . 0.0 112.315 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.55 -67.45 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.058 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.36 121.43 1.25 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.816 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.436 ' HB3' ' HB3' ' A' ' 88' ' ' PRO . 67.8 Cg_endo -74.7 77.11 3.09 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.706 2.271 . . . . 0.0 112.437 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.02 154.86 19.57 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.378 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.7 ptm -148.04 78.25 9.7 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.07 0.462 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.4 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 47.5 Cg_exo -56.63 -50.96 10.18 Favored 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.085 2.524 . . . . 0.0 114.73 178.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 23.5 Cg_exo -62.75 125.39 15.95 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 122.057 1.838 . . . . 0.0 113.043 -174.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.44 149.58 20.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.26 47.17 0.31 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.765 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 99' ' ' ARG . 41.3 ttp180 -119.69 141.87 48.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.68 -143.53 4.65 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 7.4 ttp180 -130.37 39.94 3.58 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.56 55.99 4.45 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.5 -177.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 58.23 31.29 20.62 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.856 0.462 . . . . 0.0 111.966 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.97 17.17 59.16 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.277 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 15.7 mm-40 -67.13 -52.36 42.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.716 0.293 . . . . 0.0 110.777 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.755 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.19 -1.455 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.579 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.758 1.398 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.797 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.669 2.969 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.797 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 P-O3'-C3' 122.634 2.445 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.749 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.966 4.266 . 0.11 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.8 179.1 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.405 0.621 . . . . 0.0 111.984 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -155.17 127.93 8.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.723 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.16 94.67 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.925 0.766 . . . . 0.0 110.873 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -90.4 125.52 35.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.65 0.23 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.32 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -80.62 92.0 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 0.0 109.986 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -131.51 137.03 48.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -110.99 165.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.586 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.32 174.45 43.11 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.11 70.71 2.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.598 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.18 106.08 3.01 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.688 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.648 ' HA ' HG11 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.659 ' O ' HG23 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.648 HG11 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.415 ' HA2' HG13 ' A' ' 26' ' ' ILE . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.823 HG13 HD23 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.854 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.474 ' O ' HD13 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.687 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.854 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD13 HD13 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.505 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 HD11 HD12 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -115.81 106.76 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.29 127.18 32.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.7 148.46 46.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.117 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -61.06 -49.75 76.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.23 111.6 2.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.403 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -85.13 -57.26 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.41 40.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.6 p -72.75 -20.12 61.25 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.15 -126.97 3.37 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.59 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.552 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 87.0 Cg_endo -85.29 8.67 4.47 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.021 2.481 . . . . 0.0 112.53 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 1.8 mp0 -116.07 161.51 18.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.475 HG21 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.688 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 ' HB2' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.554 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.554 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.636 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.536 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' HG22 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.536 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.575 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.823 HD23 HG13 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m -77.19 -16.54 59.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 21.2 mt -90.6 -6.8 54.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.119 0.485 . . . . 0.0 109.718 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -75.21 75.28 2.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.101 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -81.58 89.93 6.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.02 113.19 0.55 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.912 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.74 146.75 89.07 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.722 2.281 . . . . 0.0 111.36 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.38 59.36 4.68 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.708 2.272 . . . . 0.0 111.835 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.18 -152.79 19.84 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -69.37 122.77 9.55 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.354 2.036 . . . . 0.0 111.823 177.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.75 102.91 0.26 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.894 2.396 . . . . 0.0 112.148 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.64 -62.43 3.86 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.177 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.52 -138.75 15.1 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.87 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.94 119.99 5.29 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.227 2.618 . . . . 0.0 112.223 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.95 -126.26 4.74 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.497 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.0 ptp -118.36 99.11 51.66 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.211 0.529 . . . . 0.0 110.352 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.423 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 28.0 Cg_exo -62.83 154.91 63.07 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.86 2.373 . . . . 0.0 112.372 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.7 Cg_exo -70.66 69.27 2.16 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.324 2.683 . . . . 0.0 112.276 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.52 -50.83 0.74 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.905 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.67 -150.12 19.21 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -98.29 61.77 1.46 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.18 0.515 . . . . 0.0 110.596 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.57 -88.04 0.33 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.856 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.96 94.11 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.108 0.563 . . . . 0.0 111.446 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.7 167.37 32.07 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.873 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -83.58 -22.54 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 110.073 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.59 137.32 23.32 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.677 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -79.72 70.87 6.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.901 179.612 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.497 ' N3 ' HG13 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.83 -1.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.464 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-C2' 108.257 1.327 . 0.068 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.845 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 105.706 3.006 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.845 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 P-O3'-C3' 122.583 2.402 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.619 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.894 1 C4'-C3'-C2' 106.817 4.117 . 0.238 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.63 14.1 9.61 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.644 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -165.81 148.96 7.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.957 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.99 -178.52 7.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.02 89.56 3.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.475 0.655 . . . . 0.0 110.293 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.02 31.65 0.73 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.213 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -68.28 -23.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.234 0.54 . . . . 0.0 109.679 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 8' ' ' ARG . 46.4 ttm180 -80.04 65.64 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.807 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.77 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 25.4 pt 39.12 66.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.04 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.11 -110.8 1.81 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.594 176.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.92 61.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 105.28 137.29 8.94 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' HB3' HG21 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG21 HD22 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.604 ' HA ' HG11 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.552 ' HE1' ' HA2' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.643 ' O ' HG23 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.604 HG11 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.627 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.841 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.642 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.554 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.442 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.841 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.612 HD13 HD13 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.621 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.621 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.477 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 -118.19 119.53 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.23 129.93 40.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.863 0.363 . . . . 0.0 110.226 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.571 ' HD3' HG23 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.66 -172.04 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.411 -176.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -102.58 123.62 46.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.474 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.93 126.15 46.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.22 30.84 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.32 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.64 26.14 59.44 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -22.26 28.89 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.398 -0.401 . . . . 0.0 111.286 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.43 166.21 33.15 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.312 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.56 2.83 7.77 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.624 2.216 . . . . 0.0 111.733 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -112.97 167.41 10.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.571 HG23 ' HD3' ' A' ' 47' ' ' LYS . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.477 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.77 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.468 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.493 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -67.68 -32.45 73.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.54 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 42.5 mt -77.95 -63.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.569 175.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 53.35 49.28 20.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.919 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -127.12 129.23 47.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.552 ' HA2' ' HE1' ' A' ' 20' ' ' HIS . . . -99.07 -86.68 1.89 Allowed Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.41 ' HD3' ' HA3' ' A' ' 84' ' ' GLY . 36.3 Cg_endo -95.21 100.79 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.509 2.806 . . . . 0.0 111.724 173.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.5 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 14.1 Cg_exo -69.44 106.58 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.858 2.372 . . . . 0.0 112.113 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.406 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 131.76 -101.88 0.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.749 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.406 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 13.1 Cg_endo -92.7 110.13 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.556 2.837 . . . . 0.0 112.143 175.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.75 61.58 4.58 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.111 2.54 . . . . 0.0 112.521 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.93 -55.1 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.59 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.42 151.98 6.78 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.756 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.75 -30.18 50.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.572 2.182 . . . . 0.0 111.672 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.8 149.85 19.81 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.489 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . 49.6 ttm -78.75 -45.48 1.89 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.489 ' HD3' ' HB3' ' A' ' 94' ' ' MET . 43.7 Cg_exo -59.28 116.43 3.27 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.814 1.676 . . . . 0.0 111.773 172.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 6.7 Cg_exo -73.42 159.46 46.5 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.193 2.595 . . . . 0.0 112.322 -175.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.09 -169.78 39.41 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.16 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.56 114.45 2.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.987 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -87.26 68.91 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 0.0 110.444 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.839 ' HA3' ' HB2' ' A' ' 103' ' ' ARG . . . 158.43 105.84 0.22 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.549 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.54 -34.69 77.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.487 . . . . 0.0 110.455 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.38 30.27 5.23 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.839 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 30.6 mtp180 -128.51 162.68 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.583 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.88 -110.82 3.71 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.394 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -80.07 77.23 6.78 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.0 110.175 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.953 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ' A' . . . . . 0.466 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ' G' . . . . . 0.627 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ' G' . . . . . 0.792 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.496 2.796 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ' G' . . . . . 0.792 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ' U' . . . . . 0.553 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 1 C4'-C3'-C2' 106.881 4.181 . 0.175 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.413 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 19' ' ' ARG . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 21' ' ' SER . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.611 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.87 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.549 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.598 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 m-20 -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.469 HD13 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.608 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.608 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.591 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.584 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.711 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.274 -0.331 . . . . 0.0 112.274 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.508 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG13 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 77' ' ' LEU . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.891 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.891 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 66' ' ' ARG . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HG3' ' HA ' ' A' ' 18' ' ' PRO . 9.7 mp0 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 14' ' ' ASP . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.472 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.651 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 25' ' ' VAL . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.921 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.921 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.571 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 5.9 m-20 -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.627 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.753 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' HG23 ' A' ' 57' ' ' ILE . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.405 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 HD12 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 14' ' ' ASP . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.627 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.522 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.781 ' HA ' HG13 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HA ' HD21 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG22 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.552 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.528 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 78' ' ' LEU . 90.0 m-20 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 25' ' ' VAL . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 67' ' ' CYS . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.597 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.597 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.409 HG23 ' HB3' ' A' ' 14' ' ' ASP . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 36' ' ' ILE . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 79' ' ' GLN . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.693 ' HA ' HG13 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.627 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.892 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.892 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.563 HD12 HD12 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.627 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.627 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.626 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.641 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.784 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.784 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.643 0.735 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' CE ' HG11 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.496 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB3' HG23 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.75 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG22 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' HD21 ' A' ' 77' ' ' LEU . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.63 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.63 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.324 0.583 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.527 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 25' ' ' VAL . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 HD21 ' A' ' 78' ' ' LEU . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.73 ' HA ' HG13 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.566 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD23 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.872 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.481 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 78' ' ' LEU . 5.6 m-20 -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 25' ' ' VAL . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 19' ' ' ARG . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.669 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.876 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.53 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.876 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.461 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 69' ' ' HIS . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.669 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.618 ' HA ' HG13 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG12 HD22 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.902 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 31' ' ' GLU . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 29' ' ' SER . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.902 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.622 HD12 HD12 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.47 0.653 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.519 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.762 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD22 HG12 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.586 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.699 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.813 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.646 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.469 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.813 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.006 0.431 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 14' ' ' ASP . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.515 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.564 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.631 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.631 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 78' ' ' LEU . 4.7 m-20 -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.67 ' HA ' HG13 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.904 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.534 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.547 HG23 ' HB3' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.806 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.806 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' MET . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.526 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HB3' HG13 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.433 ' HB ' HG23 ' A' ' 36' ' ' ILE . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.61 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.51 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG23 HD21 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.796 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.796 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.51 ' CG2' ' HB2' ' A' ' 14' ' ' ASP . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . 0.468 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.443 HG12 HD13 ' A' ' 36' ' ' ILE . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' HD22 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.868 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 28' ' ' ARG . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.672 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.868 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' MET . . . . . 0.536 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.731 ' HA ' HG13 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.894 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.894 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD12 HD12 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.538 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG23 HD21 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HA ' HG13 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.637 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.858 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.514 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' LEU . 4.8 m-20 -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.66 67.69 10.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.6 82.22 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.77 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.8 -15.08 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.452 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.86 34.83 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 15.07 61.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.304 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -79.74 -10.65 59.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 111.09 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -91.63 125.3 36.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -90.49 -179.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 -174.61 33.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.657 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.67 72.71 2.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.754 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 118.72 109.32 2.38 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 46' ' ' PHE . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.553 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.413 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.478 ' HB ' ' O6 ' ' B' ' 3' ' ' ' G' . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG22 " H1'" ' B' ' 1' ' ' ' A' . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.611 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.87 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -126.99 112.01 14.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' A' ' 17' ' ' VAL . 12.5 m-85 -59.53 126.73 28.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.034 175.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 57' ' ' ILE . 49.7 mtpt -74.59 167.01 22.59 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 62.7 tt0 -52.5 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.226 0.328 . . . . 0.0 110.315 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 33.4 t0 175.24 100.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.712 0.633 . . . . 0.0 109.585 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' OD1' ' HB ' ' A' ' 57' ' ' ILE . 2.1 m-20 -58.81 -34.71 71.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.364 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.69 0.39 32.21 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 113.539 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -91.04 59.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.093 0.949 . . . . 0.0 110.513 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.95 174.66 22.12 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.858 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.641 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 83.5 Cg_endo -82.07 5.07 6.57 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.011 2.474 . . . . 0.0 112.007 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 18.2 mp0 -110.59 178.26 4.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.549 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.598 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 m-20 -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.48 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 3.7 p -78.61 -15.15 58.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 47.7 mt -77.85 -20.36 53.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.135 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -74.61 86.93 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.599 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m 63.31 23.06 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.094 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 80' ' ' SER . . . -70.54 -66.0 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.9 Cg_exo -78.09 106.84 2.22 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.838 2.359 . . . . 0.0 110.874 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 14.5 Cg_exo -68.28 125.37 12.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.923 2.416 . . . . 0.0 112.913 -173.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -124.84 105.57 0.86 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.599 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.766 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 46.2 Cg_exo -54.36 -58.83 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.896 2.398 . . . . 0.0 113.061 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 92.8 Cg_endo -93.64 172.2 1.85 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.972 1.782 . . . . 0.0 111.834 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.95 -45.72 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.809 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . -96.16 -117.84 3.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.816 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 3.0 Cg_exo -75.45 56.52 4.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 111.974 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.08 97.99 0.11 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.429 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.471 ' SD ' ' HD2' ' A' ' 95' ' ' PRO . 48.0 tpp -79.9 122.37 83.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.542 0.211 . . . . 0.0 110.957 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 32.3 Cg_endo -65.45 125.66 14.84 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 111.619 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.9 Cg_exo -76.94 59.9 6.62 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.51 2.807 . . . . 0.0 112.861 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.62 43.3 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.021 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.23 179.19 48.44 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.555 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -77.15 69.69 3.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.131 0.491 . . . . 0.0 110.464 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.67 -8.41 69.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.091 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.24 133.29 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.923 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.49 -44.26 1.54 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.492 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.65 -39.72 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.91 0.386 . . . . 0.0 110.477 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.73 68.86 3.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.091 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.2 9.53 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.82 -179.603 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.561 " H1'" HG22 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.009 -1.065 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.554 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.603 1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.702 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 105.726 3.026 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.702 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 122.691 2.493 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.538 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.941 1 C4'-C3'-C2' 106.83 4.13 . 0.164 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.52 123.49 24.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -87.97 99.09 11.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.66 98.61 11.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -89.86 129.78 36.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.272 0.558 . . . . 0.0 111.02 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.11 146.12 4.56 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.279 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -85.52 -61.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -172.78 113.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.656 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -123.41 160.55 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.003 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.8 -169.44 42.38 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.843 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.79 79.09 1.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.677 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.15 107.01 3.07 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 81' ' ' LEU . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.469 HD13 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.608 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.608 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -137.53 123.4 20.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.63 129.26 39.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HD3' HG22 ' A' ' 57' ' ' ILE . 46.2 mtpt -85.16 -14.3 47.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 65.36 31.89 10.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.49 170.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 123.89 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.49 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.14 149.34 42.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.12 -12.39 69.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.113 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -69.88 -39.96 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.016 0.436 . . . . 0.0 111.283 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.29 -158.78 31.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.822 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 92.8 Cg_endo -81.86 12.46 2.78 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.082 2.521 . . . . 0.0 113.104 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 2.5 mp0 -113.57 179.29 4.0 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 47' ' ' LYS . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.591 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.584 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.711 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -74.54 -24.91 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 24' ' ' VAL . 38.4 mt -84.1 -35.19 23.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 109.629 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -66.5 -64.7 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.419 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m 47.74 59.75 3.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.557 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.4 -179.77 48.11 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.614 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.66 119.62 7.0 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.801 2.334 . . . . 0.0 112.027 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.41 -25.35 48.82 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.017 2.478 . . . . 0.0 112.689 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.36 -88.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.729 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 26.7 Cg_exo -62.17 138.19 70.82 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.867 2.378 . . . . 0.0 111.693 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 27.0 Cg_exo -62.69 99.35 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.038 2.492 . . . . 0.0 112.11 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.64 -156.11 11.07 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.38 -109.32 3.81 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.284 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.59 99.72 0.54 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.871 2.381 . . . . 0.0 112.757 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.16 53.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.99 115.94 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 122.747 -0.266 . . . . 0.0 110.664 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 9.7 Cg_exo -72.08 121.38 7.5 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.72 2.28 . . . . 0.0 111.269 174.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 5.2 Cg_exo -78.08 45.13 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.399 2.733 . . . . 0.0 112.313 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.73 155.36 8.19 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.33 142.54 3.52 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.271 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -115.89 -9.92 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.746 0.308 . . . . 0.0 110.811 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.87 -62.9 3.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.331 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -70.3 -62.3 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.5 105.32 2.73 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.27 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -96.6 -6.47 36.72 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.07 118.1 13.11 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.477 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 12.3 mm-40 59.97 26.68 15.98 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 122.838 0.455 . . . . 0.0 110.918 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.058 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.508 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.573 -1.031 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.554 " O5'" ' H8 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-C1' 103.469 2.188 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.782 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.835 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.782 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 P-O3'-C3' 122.101 2.001 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.78 1 C4'-C3'-C2' 106.884 4.184 . 0.161 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.79 57.48 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -125.11 108.5 11.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.07 102.99 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -137.03 95.14 3.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.552 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.05 24.97 8.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.305 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 m -81.78 70.39 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.0 110.317 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -83.64 -72.22 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.52 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 11' ' ' GLY . 3.1 mp -85.1 128.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.216 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.71 44.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.837 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 98.47 -120.43 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.268 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -70.89 127.8 15.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.274 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.508 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG13 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 77' ' ' LEU . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.891 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.609 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.891 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 66' ' ' ARG . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -115.66 130.41 56.85 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' HB2' ' H22' ' B' ' 3' ' ' ' G' . 2.8 m-30 -72.4 126.49 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HD3' HG22 ' A' ' 57' ' ' ILE . 46.3 mtpt -77.21 50.49 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.594 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 60.33 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.583 0.753 . . . . 0.0 110.296 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.03 116.62 4.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 5.5 t70 -77.31 -18.36 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 0.0 109.749 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.24 26.18 73.47 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -121.43 92.8 3.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.128 0.489 . . . . 0.0 111.223 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.85 -168.31 47.15 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.692 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 58.6 Cg_endo -85.19 10.45 3.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.482 2.788 . . . . 0.0 112.141 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.692 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 9.7 mp0 -112.63 166.69 11.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 47' ' ' LYS . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.472 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.651 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -72.15 -37.37 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 27.5 mt -71.11 -40.19 71.63 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.671 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.0 ttm180 -59.59 -64.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t 49.3 61.15 3.29 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.216 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.02 -74.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.476 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -83.89 110.54 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.804 2.336 . . . . 0.0 111.664 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.67 144.0 66.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.838 2.359 . . . . 0.0 111.963 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . 174.4 -60.29 0.12 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.65 -174.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.5 Cg_endo -59.47 127.82 25.13 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.862 2.374 . . . . 0.0 111.906 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 11.0 Cg_exo -71.08 -179.0 3.15 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.918 2.412 . . . . 0.0 112.126 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.9 -61.32 7.64 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.884 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.48 -160.73 33.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.422 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.43 47.12 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.006 2.471 . . . . 0.0 112.746 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 94' ' ' MET . . . -96.6 -163.36 32.79 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.686 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 47.5 ttm 70.83 129.31 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 C-N-CA 123.286 0.634 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 29.9 Cg_endo -92.05 94.6 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.217 2.611 . . . . 0.0 111.79 175.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.686 ' HD3' ' O ' ' A' ' 94' ' ' MET . 92.2 Cg_endo -95.15 32.49 0.18 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.965 2.443 . . . . 0.0 112.539 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.02 115.23 6.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.782 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.1 -73.21 2.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.404 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.15 -12.33 58.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.613 0.244 . . . . 0.0 111.513 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.45 -79.15 1.29 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.749 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.54 119.01 26.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.78 153.42 23.64 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -111.83 116.81 31.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.05 0.452 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.04 -142.1 10.68 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.303 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.13 86.49 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.895 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.72 178.513 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.502 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.833 -1.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.548 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.468 1.477 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.668 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 107.091 -2.788 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.668 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 P-O3'-C3' 122.833 2.611 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.856 1 C4'-C3'-C2' 106.821 4.121 . 0.205 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.467 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 70.5 1.47 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.94 0.4 . . . . 0.0 110.005 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.4 mtm -141.69 77.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.391 0.615 . . . . 0.0 110.178 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -130.82 140.3 50.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.06 -66.53 0.38 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 m 57.04 39.07 29.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.585 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 51.4 mtp180 -100.5 72.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.025 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.6 mp -78.21 93.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -68.59 1.67 Allowed Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.835 -0.621 . . . . 0.0 113.404 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . 124.55 -88.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -90.07 112.73 4.09 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.921 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.921 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -118.53 111.16 18.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -73.98 129.52 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.551 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -88.76 149.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.94 121.32 24.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.807 0.336 . . . . 0.0 110.584 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.19 161.61 15.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.687 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.41 20.53 18.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.28 9.84 85.47 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.674 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -103.36 111.25 23.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.312 0.577 . . . . 0.0 110.593 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 158.48 19.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.978 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 61.4 Cg_endo -88.59 -8.72 5.14 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.672 2.248 . . . . 0.0 112.897 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.603 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -120.18 160.65 22.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.571 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 5.9 m-20 -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m -68.83 -29.29 67.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 24' ' ' VAL . 21.9 mt -70.16 -22.18 63.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -105.8 18.08 22.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.768 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -73.18 -30.33 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.58 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.52 -175.74 17.18 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.752 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 30.2 Cg_endo -63.37 121.19 8.9 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.844 2.363 . . . . 0.0 112.034 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 23.5 Cg_exo -63.99 111.67 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.653 2.236 . . . . 0.0 111.934 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.94 -83.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.3 Cg_endo -75.33 107.06 2.39 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.556 2.171 . . . . 0.0 111.716 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 10.1 Cg_exo -71.08 -26.84 21.02 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.123 2.549 . . . . 0.0 112.564 -175.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.9 64.27 3.39 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.407 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -94.95 120.84 6.58 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 7.1 Cg_exo -74.0 43.61 0.86 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.305 2.67 . . . . 0.0 113.109 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.56 -35.85 35.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.433 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.7 ttt -120.92 118.95 30.16 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 12.2 Cg_exo -70.2 113.66 3.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.653 2.235 . . . . 0.0 112.157 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 3.2 Cg_endo -84.94 79.43 2.38 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.331 2.687 . . . . 0.0 111.378 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.03 134.96 8.7 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -174.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.19 -135.46 5.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.317 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 99' ' ' ARG . 18.2 ttt180 -136.71 51.81 1.97 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.69 79.3 0.7 Allowed Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.681 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 101' ' ' ARG . 18.1 mmt180 -105.08 84.55 2.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.92 -127.86 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.498 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 63.64 75.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.66 0.743 . . . . 0.0 110.56 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.97 -128.16 3.76 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.18 79.66 1.82 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.15 0.5 . . . . 0.0 109.898 174.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.844 -177.374 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.608 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 103.983 -1.083 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.439 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C3'-C2'-C1' 102.939 1.599 . 0.059 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.7 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 106.1 3.4 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.7 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 122.936 2.697 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.699 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.879 1 C4'-C3'-C2' 106.854 4.154 . 0.177 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.249 -0.34 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 5' ' ' TYR . . . -94.02 136.88 33.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.993 0.425 . . . . 0.0 111.107 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtm -109.72 128.57 55.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.58 42.49 20.64 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.456 0.646 . . . . 0.0 110.961 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.405 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 57.6 t80 -101.0 90.07 4.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.471 -174.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.77 11.22 4.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.407 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -80.92 56.61 2.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -133.63 99.87 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.36 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 pt -81.82 91.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.595 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.34 -149.53 11.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.421 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.8 73.48 2.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.154 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.627 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 124.08 107.82 1.78 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.158 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' HG23 ' A' ' 57' ' ' ILE . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.493 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 HD12 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -117.94 117.29 28.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CE2' HG11 ' A' ' 17' ' ' VAL . 7.7 m-85 -75.78 102.06 5.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 171.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -73.63 120.65 19.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.57 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.36 115.68 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.523 . . . . 0.0 109.98 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.49 167.33 16.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.209 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -121.94 38.05 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 31.3 22.38 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.686 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.3 p -106.69 95.02 5.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.51 153.17 29.8 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.59 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' GLU . 72.8 Cg_endo -76.34 -17.14 16.92 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.608 2.206 . . . . 0.0 111.855 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CD ' ' HG2' ' A' ' 54' ' ' PRO . 28.0 mp0 -104.16 -179.78 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 14' ' ' ASP . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.627 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.522 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t -71.92 -21.66 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 24' ' ' VAL . 22.9 mt -78.14 -31.95 50.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.286 0.565 . . . . 0.0 109.538 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -76.45 -42.35 44.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.855 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.5 t -159.58 99.2 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.389 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HD3' ' A' ' 85' ' ' PRO . . . -76.29 143.12 29.15 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.784 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 6.9 Cg_exo -72.75 113.09 3.65 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.825 2.35 . . . . 0.0 111.705 178.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 6.1 Cg_exo -79.03 54.63 5.25 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 123.171 2.581 . . . . 0.0 111.529 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.3 -157.61 27.36 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.54 115.76 4.07 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.899 2.399 . . . . 0.0 112.312 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 113.01 2.41 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.789 2.326 . . . . 0.0 111.895 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.68 -121.39 0.65 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.708 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.75 -166.33 17.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.636 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 66.36 7.36 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.938 2.425 . . . . 0.0 112.028 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.64 82.66 0.15 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.89 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.6 mtt -104.87 134.53 19.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.54 113.11 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.679 2.253 . . . . 0.0 112.972 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.92 124.44 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.914 2.409 . . . . 0.0 111.412 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 154.55 -176.24 32.4 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.818 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.68 -176.79 17.26 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -150.29 152.05 33.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.063 0.459 . . . . 0.0 110.888 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . 171.77 56.3 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 75.3 mtm180 70.75 174.49 0.3 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.391 0.701 . . . . 0.0 109.499 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.41 -121.04 0.57 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.149 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -145.49 127.73 15.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.76 111.69 2.37 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.831 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -95.59 107.69 19.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.136 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.516 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 99.798 -1.892 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.493 ' O6 ' ' HA ' ' A' ' 20' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 108.427 1.448 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.715 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 105.645 2.945 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.715 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 P-O3'-C3' 122.949 2.707 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.612 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.935 1 C4'-C3'-C2' 106.914 4.214 . 0.209 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.6 -73.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.7 tpt -111.41 94.91 5.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 109.809 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.48 108.54 20.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.559 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -107.08 20.99 18.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.396 0.617 . . . . 0.0 109.994 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.1 102.18 0.79 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.646 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -89.2 -14.1 36.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -73.29 -54.5 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.508 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.871 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 28.0 pt -94.25 80.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.695 0.759 . . . . 0.0 110.819 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -93.91 -109.38 2.07 Favored Glycine 0 C--O 1.228 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.388 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.92 21.85 42.71 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 149.11 161.34 9.65 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.781 ' HA ' HG13 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.71 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HA ' HD21 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HD2' ' OP1' ' B' ' 1' ' ' ' A' . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.639 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -139.07 116.53 11.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 74.7 m-85 -60.29 141.68 55.77 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.645 0.26 . . . . 0.0 110.311 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 37.5 mtmt -82.45 70.45 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.02 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 13.8 pt20 53.1 125.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.479 1.511 . . . . 0.0 113.744 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.57 74.36 5.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.005 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -86.83 -37.02 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.87 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.03 14.96 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.698 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.75 81.98 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 111.164 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.43 -175.56 16.19 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.58 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.16 -10.69 10.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.025 2.484 . . . . 0.0 112.619 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.5 153.4 28.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG22 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.552 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.871 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.528 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 78' ' ' LEU . 90.0 m-20 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -69.9 -27.1 64.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.3 mt -72.67 -27.72 62.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.418 0.628 . . . . 0.0 110.266 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -75.18 -35.37 61.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.752 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 m -104.77 -77.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.91 125.78 3.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.693 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.593 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 74.7 Cg_exo -49.22 -52.32 8.99 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.193 2.595 . . . . 0.0 114.078 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 91.8 Cg_endo -90.26 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.822 1.681 . . . . 0.0 112.635 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.563 ' O ' ' HD3' ' A' ' 89' ' ' PRO . . . -100.26 -105.38 2.71 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.28 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 47.6 Cg_endo -98.07 97.34 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.697 2.931 . . . . 0.0 112.62 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 1.1 Cg_endo -84.2 43.87 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.121 2.547 . . . . 0.0 111.925 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.74 83.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.128 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.71 65.71 0.3 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.965 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 89' ' ' PRO . 2.9 Cg_exo -74.5 105.98 2.16 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.989 2.459 . . . . 0.0 111.398 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.86 52.99 4.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.552 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.479 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 94.6 mmm -80.21 -50.48 1.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 119.584 -0.246 . . . . 0.0 110.69 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 94' ' ' MET . 27.8 Cg_endo -64.89 114.03 2.61 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.792 1.661 . . . . 0.0 111.437 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -85.0 -1.94 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.814 2.343 . . . . 0.0 113.151 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.62 88.13 1.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.71 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.33 -41.36 0.36 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.911 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 99' ' ' ARG . 72.0 mtm-85 -117.88 146.99 43.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 0.0 110.746 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.01 -130.58 1.36 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.12 127.3 12.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.986 0.393 . . . . 0.0 109.966 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.59 138.96 14.68 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.262 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -87.89 108.84 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 105' ' ' GLN . . . 108.92 43.95 1.16 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 53.5 mt-30 74.51 132.24 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.638 0.775 . . . . 0.0 111.626 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.308 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.53 ' OP1' ' HD2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.335 -0.832 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.71 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 102.98 1.644 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.697 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 105.671 2.971 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.697 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 P-O3'-C3' 122.482 2.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.658 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.891 1 C4'-C3'-C2' 106.851 4.151 . 0.251 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.92 62.01 2.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.383 0.611 . . . . 0.0 110.343 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.04 128.03 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.49 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.12 96.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.95 0.782 . . . . 0.0 112.45 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -88.48 12.24 14.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.161 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.53 36.83 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.65 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.1 p -120.1 31.45 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.915 0.388 . . . . 0.0 111.292 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -81.29 103.29 10.96 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG13 ' HB3' ' A' ' 64' ' ' PRO . 27.6 pt -120.14 3.23 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.27 115.58 4.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.891 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.82 54.31 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.291 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.97 160.49 16.9 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.242 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.516 HG22 ' HA ' ' A' ' 9' ' ' ILE . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.597 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.597 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -127.95 133.62 49.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.8 137.69 40.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.611 ' HD3' HG22 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.52 174.89 6.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.628 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -106.14 39.87 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.727 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.0 111.99 2.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -76.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.15 45.44 0.52 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 t -75.22 -2.65 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.082 0.467 . . . . 0.0 110.811 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.38 173.32 41.91 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.64 2.9 6.43 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.734 2.289 . . . . 0.0 112.571 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -106.0 168.26 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' HD3' ' A' ' 47' ' ' LYS . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' HB3' HG13 ' A' ' 9' ' ' ILE . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 36' ' ' ILE . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 79' ' ' GLN . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p -78.8 -22.6 46.02 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 57.6 mt -84.01 -42.42 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.7 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -72.28 -21.64 61.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.392 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -87.01 146.36 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.17 -166.55 11.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.91 117.64 4.72 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.342 2.028 . . . . 0.0 111.802 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.12 126.47 19.04 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.032 2.488 . . . . 0.0 112.31 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.73 -126.9 2.57 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.526 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 37.3 Cg_exo -55.63 -53.94 4.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.502 2.135 . . . . 0.0 113.572 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 6.1 Cg_endo -88.48 -41.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.401 2.068 . . . . 0.0 113.177 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.61 103.37 2.64 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.4 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.67 -83.47 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.988 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.35 113.64 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.082 2.521 . . . . 0.0 112.846 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.27 145.99 16.29 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 23.0 ptp -156.32 134.13 6.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.702 0.751 . . . . 0.0 112.057 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 10.1 Cg_endo -91.43 107.24 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.385 2.723 . . . . 0.0 110.433 167.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.38 72.75 0.87 Allowed 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.968 2.445 . . . . 0.0 113.031 -175.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.85 133.71 10.62 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.627 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.33 -63.13 4.47 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.2 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -92.57 134.19 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.703 0.287 . . . . 0.0 110.343 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.08 -161.65 24.62 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.654 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 38.5 mtp180 -84.97 -20.6 30.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.997 0.427 . . . . 0.0 110.123 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.11 -144.88 6.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.962 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -84.51 -27.93 27.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 0.0 110.055 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.05 -79.76 0.36 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.841 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 62.84 79.8 0.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.738 0.415 . . . . 0.0 111.678 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.354 178.499 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.493 " C1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 99.847 -1.837 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.627 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 103.018 1.686 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.756 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 105.727 3.027 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.756 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 P-O3'-C3' 122.575 2.396 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.661 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 1 C4'-C3'-C2' 106.899 4.199 . 0.228 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.83 84.96 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.3 mmm -80.14 74.41 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.945 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.11 81.38 7.35 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -82.47 16.83 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.224 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.4 -135.86 2.13 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.113 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 p -61.75 139.85 58.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -84.33 75.52 10.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.546 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.15 141.41 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.191 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 170.82 27.62 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.54 71.21 2.34 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.117 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 104.25 98.56 2.52 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.693 ' HA ' HG13 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.627 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.516 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.892 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.698 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.892 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.563 HD12 HD12 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.627 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.627 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -119.27 108.46 14.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.35 120.84 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 57' ' ' ILE . 55.6 mtpt -88.46 176.38 7.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.475 0.655 . . . . 0.0 111.849 -171.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -110.1 76.61 1.0 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.511 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.26 173.89 6.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.543 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -165.75 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.23 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.565 HG21 HG12 ' A' ' 57' ' ' ILE . 11.2 t -153.01 32.38 0.48 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.61 0.719 . . . . 0.0 110.285 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.05 -167.25 22.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.724 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 43.4 Cg_endo -85.26 7.23 5.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.288 2.659 . . . . 0.0 112.608 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.579 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 10.0 mp0 -103.82 172.6 6.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 -177.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 47' ' ' LYS . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.626 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m -69.59 -16.9 63.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.45 -11.12 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.171 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 78' ' ' LEU . 22.3 mmt180 -86.61 44.4 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.587 -172.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 m -63.74 113.6 3.49 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.9 173.21 22.26 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.081 -1.057 . . . . 0.0 113.283 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.6 Cg_exo -77.08 133.52 13.65 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.216 2.611 . . . . 0.0 111.725 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 84.6 Cg_endo -86.65 151.37 8.8 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.628 2.219 . . . . 0.0 112.629 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 88' ' ' PRO . . . -148.09 56.71 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.017 174.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 87' ' ' GLY . 1.7 Cg_endo -84.96 124.86 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.972 2.448 . . . . 0.0 112.353 -175.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.22 142.47 10.81 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.569 2.179 . . . . 0.0 111.896 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.86 -150.36 16.89 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.305 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.19 -123.45 0.8 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.93 127.9 16.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.589 2.193 . . . . 0.0 111.761 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.71 138.7 9.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.368 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -130.3 80.07 71.31 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.256 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 61.5 Cg_endo -74.86 131.82 14.91 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.535 2.156 . . . . 0.0 112.431 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 30.3 Cg_exo -61.35 128.79 26.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.774 2.316 . . . . 0.0 111.563 178.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.9 -51.32 4.29 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.68 -125.66 13.73 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.876 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -116.93 13.75 14.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.37 124.79 5.83 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.845 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -85.38 108.18 17.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.18 72.96 1.23 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.535 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 109.771 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.98 114.57 4.23 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.392 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 67.71 19.86 9.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.924 0.49 . . . . 0.0 111.125 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.404 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.502 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.948 -1.724 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.516 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 103.428 2.142 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.749 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 105.639 2.939 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.749 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 P-O3'-C3' 122.687 2.489 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.594 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.958 1 C4'-C3'-C2' 106.975 4.275 . 0.035 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 44.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ttt -156.02 82.57 1.0 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.85 175.42 0.26 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.544 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 57.51 54.34 6.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 110.994 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.18 148.45 48.91 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.664 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.1 m -73.52 -44.31 57.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.594 0.235 . . . . 0.0 110.629 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 10.9 tpt180 -103.71 100.54 10.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.025 0.441 . . . . 0.0 110.179 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 64' ' ' PRO . 9.1 pt -121.45 -9.58 9.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.207 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.79 116.15 7.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.0 67.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.415 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 108.13 166.71 21.34 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.018 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' HE2' ' A' ' 46' ' ' PHE . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.641 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.784 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.518 ' HA3' " C1'" ' B' ' 4' ' ' ' G' . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.784 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -138.39 129.32 26.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' HE2' HG11 ' A' ' 17' ' ' VAL . 97.3 m-85 -75.01 130.36 39.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.88 67.81 10.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.858 0.361 . . . . 0.0 111.033 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 66.24 179.63 0.21 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.306 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.13 103.07 5.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.413 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.32 -52.91 62.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.504 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.24 -35.65 2.2 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.7 p -95.09 163.52 13.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.277 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.06 148.92 24.63 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.165 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -86.28 -25.8 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.812 2.341 . . . . 0.0 112.081 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -115.82 157.91 23.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.145 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' CE ' HG11 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.496 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HB3' HD12 ' A' ' 9' ' ' ILE . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m -79.73 -43.06 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.4 mt -63.19 -67.45 0.42 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.927 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 61.07 75.07 0.43 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.56 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -64.34 104.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -168.44 -59.24 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.376 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 18.6 Cg_endo -59.55 154.03 50.96 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.882 2.388 . . . . 0.0 112.375 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.41 85.34 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.003 2.469 . . . . 0.0 112.537 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.33 -131.92 10.89 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.782 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 44.1 Cg_endo -69.98 143.42 49.74 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.359 2.039 . . . . 0.0 112.183 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.2 Cg_exo -71.47 -1.2 9.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.249 2.633 . . . . 0.0 112.77 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.47 147.69 21.57 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.918 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.01 150.14 19.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.215 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.02 -58.61 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.055 2.503 . . . . 0.0 112.035 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.18 59.75 0.63 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 27.3 ttt -78.85 119.61 77.89 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.747 0.308 . . . . 0.0 111.275 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -76.81 143.68 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.393 2.062 . . . . 0.0 110.913 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.16 110.57 0.71 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.831 2.354 . . . . 0.0 111.956 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.86 155.45 25.55 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.71 77.2 1.48 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.142 -0.551 . . . . 0.0 111.832 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -76.93 78.55 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.235 0.54 . . . . 0.0 111.052 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.73 136.71 13.1 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.224 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -106.48 124.92 50.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.08 61.86 0.85 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.041 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -83.03 69.66 9.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.017 0.436 . . . . 0.0 110.723 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.49 -42.81 1.95 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.634 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.39 48.03 21.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.181 0.515 . . . . 0.0 111.187 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.671 -179.328 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.551 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 100.223 -1.419 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 104.384 3.204 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.849 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 106.865 -3.039 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.849 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 P-O3'-C3' 122.683 2.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.623 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.964 1 C4'-C3'-C2' 106.967 4.267 . 0.08 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.8 -32.88 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.725 -0.28 . . . . 0.0 111.416 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttm -107.65 -56.39 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.48 . . . . 0.0 110.544 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.03 63.54 4.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.967 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -107.46 133.04 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.066 0.46 . . . . 0.0 110.249 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.64 44.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -90.33 61.09 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.307 0.575 . . . . 0.0 110.48 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -89.6 167.39 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.808 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 13.4 pt -130.36 93.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.425 0.631 . . . . 0.0 111.224 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.625 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -106.49 -118.32 4.38 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.537 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.41 20.55 40.31 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . 155.75 165.12 13.96 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB3' HG23 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.75 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG22 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' HD21 ' A' ' 77' ' ' LEU . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.645 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.63 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.63 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -118.28 114.85 23.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.29 106.52 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HD3' HG22 ' A' ' 57' ' ' ILE . 26.3 mtpp -74.39 116.93 15.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 6.4 tp60 -70.8 127.73 33.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.12 149.15 24.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.706 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -108.42 34.17 3.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.421 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.47 17.43 55.06 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -18.41 64.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.984 -172.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.55 168.99 38.05 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.812 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 81.2 Cg_endo -76.04 -13.14 19.42 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.777 2.318 . . . . 0.0 111.815 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 22.7 mp0 -108.38 163.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.297 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.527 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.625 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -82.62 -27.83 31.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 29.2 mt -80.63 -67.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.209 0.528 . . . . 0.0 110.908 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 64.21 5.07 2.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.546 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t 52.02 42.98 30.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.12 -126.15 5.62 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.31 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 40.5 Cg_endo -68.61 128.56 17.3 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.664 2.243 . . . . 0.0 112.107 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 28.0 Cg_exo -61.77 107.76 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 111.87 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 164.34 12.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.191 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 90.6 Cg_endo -81.1 156.72 20.06 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.924 2.416 . . . . 0.0 112.101 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 3.1 Cg_exo -75.58 54.56 3.96 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.098 2.532 . . . . 0.0 111.986 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.51 -120.92 2.48 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.782 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . 169.25 -118.07 0.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.67 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 8.3 Cg_exo -71.94 76.81 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 123.24 2.627 . . . . 0.0 112.398 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.14 -156.55 9.5 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.746 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 55.22 67.47 3.11 Favored Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.839 0.455 . . . . 0.0 111.204 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.78 117.98 5.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.606 2.204 . . . . 0.0 112.394 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 72.5 Cg_endo -80.13 87.18 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.802 2.335 . . . . 0.0 112.255 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.88 -16.93 34.27 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.971 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.24 -108.93 0.9 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -93.27 51.08 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.741 0.781 . . . . 0.0 109.858 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' ' 96' ' ' PRO . . . -132.88 28.54 3.35 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.05 125.72 2.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -175.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.32 -151.85 24.04 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.638 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -89.61 123.71 33.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.58 -141.3 8.78 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 173.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.53 4.79 22.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.999 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.72 177.966 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.516 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.412 -2.321 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.536 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 104.285 3.095 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.868 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 105.724 3.024 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.868 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 122.704 2.503 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.71 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.874 1 C4'-C3'-C2' 107.055 4.355 . 0.224 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.11 117.05 33.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.589 0.233 . . . . 0.0 110.936 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mmm 57.46 43.55 22.79 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.39 -46.9 3.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.303 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 47.25 59.84 3.82 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.761 0.663 . . . . 0.0 111.268 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.5 -130.12 6.45 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.678 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t 60.43 50.07 6.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.499 0.666 . . . . 0.0 109.354 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.617 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 45.7 ttp180 -152.49 82.37 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.29 -175.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.61 ' H ' ' HB3' ' A' ' 64' ' ' PRO . 47.6 mm -98.76 -25.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . 157.66 -167.01 34.05 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.289 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.86 0.62 56.45 Favored Glycine 0 N--CA 1.454 -0.127 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 170.65 135.15 1.87 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 HD21 ' A' ' 78' ' ' LEU . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.73 ' HA ' HG13 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.566 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD23 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.872 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.611 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.584 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -136.09 130.82 33.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.95 129.67 38.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.317 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -92.84 164.82 13.19 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.002 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -89.78 137.65 32.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.213 0.53 . . . . 0.0 111.236 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.64 122.65 46.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.101 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -119.33 36.83 4.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.187 0.517 . . . . 0.0 109.843 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.21 38.66 2.42 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.429 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 p -87.08 -19.98 27.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.425 0.631 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.62 -157.22 29.22 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -89.96 1.21 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.737 2.291 . . . . 0.0 112.14 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -112.93 169.81 8.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 -175.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.481 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 78' ' ' LEU . 5.6 m-20 -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m -81.8 -18.65 43.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.9 mt -76.34 -46.0 29.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.073 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -68.27 138.59 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.359 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.8 t -75.31 109.54 8.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.83 -178.45 51.13 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.553 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.05 126.38 10.53 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.925 2.417 . . . . 0.0 111.965 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.88 126.5 13.98 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.609 2.206 . . . . 0.0 111.218 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.9 115.84 0.4 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.196 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 56.8 Cg_endo -70.73 131.72 20.4 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.778 2.319 . . . . 0.0 112.231 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.3 Cg_exo -71.64 -22.14 24.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.868 2.379 . . . . 0.0 111.479 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.23 99.46 0.23 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.533 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.45 157.33 22.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.16 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.47 134.81 49.96 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.937 2.424 . . . . 0.0 111.852 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.54 42.82 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.931 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.708 ' HB2' ' HD3' ' A' ' 95' ' ' PRO . 89.8 mtp -76.13 -51.38 2.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.995 -0.12 . . . . 0.0 110.684 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 94' ' ' MET . 17.9 Cg_exo -67.92 134.85 33.35 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.928 1.752 . . . . 0.0 111.212 172.692 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 8.2 Cg_exo -72.9 66.19 4.04 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.183 2.589 . . . . 0.0 112.518 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.18 54.0 4.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.625 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.34 80.43 0.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -82.54 58.1 4.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.081 0.467 . . . . 0.0 111.322 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.86 175.33 41.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.632 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 15.0 ptt85 -90.84 -26.18 19.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 0.0 110.618 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 -112.41 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.736 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -100.76 -18.65 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.113 0.482 . . . . 0.0 110.104 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . -81.99 131.61 10.53 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.908 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 6.4 tp60 -90.43 -36.1 14.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.071 -178.805 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.611 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.414 -1.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.473 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.824 1.017 . 0.081 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.756 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 105.8 3.1 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.756 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 P-O3'-C3' 122.353 2.211 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.546 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.837 1 C4'-C3'-C2' 106.841 4.141 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.71 40.27 1.41 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.455 0.645 . . . . 0.0 110.135 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -85.29 47.65 1.45 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.896 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.27 -23.09 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -157.19 137.91 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.532 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.65 -5.99 82.21 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.765 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 p -78.95 121.01 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.006 0.431 . . . . 0.0 110.792 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 8' ' ' ARG . 27.4 mtp-105 -125.33 137.76 54.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.869 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' HA ' HG22 ' A' ' 13' ' ' ILE . 26.7 pt -97.61 14.5 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.61 64.79 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.438 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.601 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . 141.93 -138.89 8.9 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -65.27 122.62 23.86 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.467 175.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 9' ' ' ILE . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 81' ' ' LEU . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.669 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.876 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.876 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -132.58 126.94 33.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 80.3 m-85 -70.33 136.4 49.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 9.0 mtpm? -75.11 118.76 18.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.315 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 43.95 -153.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.271 0.982 . . . . 0.0 112.181 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.81 48.3 1.24 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.02 139.16 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.554 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.27 33.2 2.18 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.7 p -91.72 -39.29 11.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.95 164.45 34.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.28 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 86.2 Cg_endo -72.16 -20.38 24.96 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.344 2.029 . . . . 0.0 110.585 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' OE1' ' HG2' ' A' ' 54' ' ' PRO . 5.6 mp0 -114.61 169.25 9.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.402 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.461 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 69' ' ' HIS . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.669 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p -74.28 -27.94 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 24' ' ' VAL . 32.9 mt -70.37 -28.67 65.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.248 0.546 . . . . 0.0 110.363 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -73.26 121.86 21.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.903 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -135.33 91.72 2.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.934 0.397 . . . . 0.0 110.24 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.13 45.46 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 13.7 Cg_exo -69.91 128.07 15.38 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 2.7 Cg_exo -76.73 49.96 2.88 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.332 2.688 . . . . 0.0 112.397 -179.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 152.87 -120.75 1.09 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 12.7 Cg_exo -70.13 145.53 55.25 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.79 2.327 . . . . 0.0 112.15 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -70.2 -5.05 15.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.959 2.439 . . . . 0.0 112.172 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.57 84.6 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -111.4 154.1 16.88 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 121.043 -0.598 . . . . 0.0 111.811 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.28 119.55 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.068 2.512 . . . . 0.0 112.178 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.85 -56.39 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.4 mmt -122.6 80.39 47.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.522 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 33.3 Cg_endo -63.25 120.5 7.98 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.972 2.448 . . . . 0.0 113.157 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 6.2 Cg_exo -79.77 176.65 9.26 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.266 2.644 . . . . 0.0 111.84 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.86 -17.57 29.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 72.5 2.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.856 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -97.88 123.02 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.75 0.31 . . . . 0.0 110.31 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.84 -171.6 39.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.76 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -88.25 95.76 10.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.085 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.61 -7.86 65.91 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.309 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 103' ' ' ARG . 47.2 mtt180 68.41 -71.55 0.11 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.646 0.778 . . . . 0.0 111.594 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.05 -166.95 37.95 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.12 58.27 4.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.23 0.538 . . . . 0.0 111.418 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.22 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.581 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.554 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 104.093 1.393 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.599 " H4'" " C5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.031 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.599 " C5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 P--O3' 1.616 0.747 1 P-O3'-C3' 125.238 4.615 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.673 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 1 C4'-C3'-C2' 106.94 4.24 . 0.236 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 80.42 6.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 111.031 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.44 -42.48 5.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.737 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.24 77.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.702 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -109.01 57.02 0.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.489 0.662 . . . . 0.0 110.7 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 9' ' ' ILE . . . -84.63 60.06 4.85 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.42 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p -85.54 119.17 25.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 71.64 -47.57 0.66 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.546 0.738 . . . . 0.0 111.024 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.754 HG13 ' HB3' ' A' ' 64' ' ' PRO . 1.8 tp -64.86 111.99 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 109.742 172.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . -147.47 115.12 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.148 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' H ' ' HG3' ' A' ' 64' ' ' PRO . . . 80.53 -144.37 25.48 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.809 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -81.37 145.58 25.47 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.184 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 9' ' ' ILE . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.618 ' HA ' HG13 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.49 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG12 HD22 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.902 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 31' ' ' GLU . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 29' ' ' SER . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.902 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.622 HD12 HD12 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -121.61 116.61 24.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 5.1 m-85 -71.19 135.48 47.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.483 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 61.4 mttm -83.67 92.84 7.78 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.135 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.13 67.09 3.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.068 0.937 . . . . 0.0 110.26 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -102.87 90.14 3.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.41 -1.268 . . . . 0.0 107.852 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 129.24 38.29 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 -169.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.82 13.99 38.5 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.118 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -86.14 28.14 0.85 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.481 0.658 . . . . 0.0 111.398 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.81 -169.22 12.87 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.909 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 91.1 Cg_endo -79.21 -8.05 15.19 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.961 2.441 . . . . 0.0 111.699 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -120.61 162.96 18.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.717 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' CG2' ' HD2' ' A' ' 47' ' ' LYS . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.519 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.754 ' HB3' HG13 ' A' ' 9' ' ' ILE . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.762 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD22 HG12 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m -73.91 -29.77 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 35.7 mt -70.61 -26.82 63.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 78' ' ' LEU . 99.3 mtt180 -70.85 106.39 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.797 -175.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -118.09 101.9 8.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.88 -148.73 10.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.325 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 18.3 Cg_exo -66.95 134.26 33.86 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.974 2.449 . . . . 0.0 112.171 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 12.5 Cg_exo -70.17 109.33 2.36 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.908 2.405 . . . . 0.0 111.77 176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.85 88.65 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.4 Cg_endo -61.95 117.63 4.48 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.968 2.445 . . . . 0.0 112.563 -176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 7.8 Cg_endo -84.6 66.9 6.55 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.978 2.452 . . . . 0.0 111.74 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.43 100.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.756 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.53 83.6 1.39 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.38 -3.49 13.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.592 2.195 . . . . 0.0 113.28 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.22 65.32 3.34 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.388 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 19.2 mmt 64.12 87.71 0.12 Allowed Pre-proline 0 N--CA 1.464 0.23 0 C-N-CA 123.225 0.61 . . . . 0.0 111.703 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.75 133.95 14.52 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.051 2.501 . . . . 0.0 111.303 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 114.79 2.54 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.655 2.237 . . . . 0.0 112.147 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -134.03 -173.72 13.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.101 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.98 156.79 27.31 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.024 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 57.41 60.8 2.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.158 0.504 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.37 44.83 2.74 Favored Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.092 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -105.75 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.78 4.7 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.717 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -92.55 -179.31 5.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.02 -102.23 2.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -104.4 -24.37 13.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 0.0 110.176 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.35 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.52 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.808 1.006 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.505 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C4'-C3'-C2' 104.578 1.878 . 0.018 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.845 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 105.771 3.071 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.845 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 P-O3'-C3' 122.142 2.035 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 1 C4'-C3'-C2' 106.961 4.261 . 0.189 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.96 -63.06 0.41 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.458 0.703 . . . . 0.0 111.753 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 mtm -120.17 80.68 1.63 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 0.0 111.055 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.6 84.5 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -64.38 108.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.55 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.64 -152.62 6.84 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.561 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -125.02 130.29 52.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.073 0.463 . . . . 0.0 110.268 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -89.65 146.99 24.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.535 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm 68.43 105.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 123.843 0.714 . . . . 0.0 111.455 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.63 176.15 41.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.438 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.9 71.89 1.88 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.03 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 125.52 105.48 1.52 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.679 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.699 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.813 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.734 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.646 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.469 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.813 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -125.84 124.1 40.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -73.62 117.33 15.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.442 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HD3' HG22 ' A' ' 57' ' ' ILE . 49.2 mtpt -70.86 123.05 21.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.15 135.91 43.11 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.581 0.55 . . . . 0.0 111.488 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' O ' HG23 ' A' ' 52' ' ' THR . 15.8 t0 -61.69 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -168.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 t70 63.24 17.93 10.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 110.848 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.41 48.96 3.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.228 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 49' ' ' ASP . 9.2 p -68.09 -56.87 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 111.42 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.43 -152.34 11.4 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.64 -19.79 11.11 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.91 2.407 . . . . 0.0 111.976 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -112.66 171.54 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' HD3' ' A' ' 47' ' ' LYS . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.515 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.564 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.631 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.631 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 78' ' ' LEU . 4.7 m-20 -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p -79.82 -21.08 44.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.6 mt -78.4 -29.49 47.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 110.327 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -94.66 147.27 23.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.062 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 68.72 7.84 6.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.491 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.14 75.08 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.757 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.409 ' O ' ' HD2' ' A' ' 89' ' ' PRO . 22.0 Cg_endo -61.41 125.76 17.62 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.453 2.102 . . . . 0.0 111.788 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.24 54.97 2.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.28 2.653 . . . . 0.0 113.199 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.55 -82.2 0.75 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.63 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 47.3 Cg_exo -55.02 -52.95 6.76 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.641 2.227 . . . . 0.0 112.768 173.296 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 3.8 Cg_exo -77.83 69.09 7.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.155 1.903 . . . . 0.0 111.56 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -148.72 -156.69 7.23 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.73 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.55 131.98 1.45 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.68 26.05 0.63 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.003 2.469 . . . . 0.0 112.942 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.08 -131.2 10.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.92 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.528 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 16.8 tpt -141.47 113.2 6.63 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.496 0.189 . . . . 0.0 110.624 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -92.29 101.53 0.19 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.524 2.816 . . . . 0.0 111.891 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 94' ' ' MET . 3.6 Cg_exo -80.82 88.95 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.058 2.506 . . . . 0.0 111.675 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.45 -56.35 2.84 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.206 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.11 73.76 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.508 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -106.65 116.95 32.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.44 70.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.068 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.28 102.49 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.834 0.35 . . . . 0.0 111.032 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.16 -162.3 44.13 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.989 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -121.09 -41.18 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.13 -136.82 7.5 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.429 0.633 . . . . 0.0 109.965 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.059 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.513 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 100.991 -1.709 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.679 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.476 1.483 . 0.022 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.754 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.905 3.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.754 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O3'-C3' 122.288 2.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.66 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.018 1 C4'-C3'-C2' 106.955 4.255 . 0.191 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.48 56.65 7.05 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.854 0.462 . . . . 0.0 111.671 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.3 ttm -142.51 -82.4 0.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.558 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.83 157.45 11.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 111.692 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -130.09 120.41 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.555 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 138.56 14.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 m -94.92 92.86 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.081 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 8' ' ' ARG . 52.5 mtt180 -98.12 -59.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.367 -178.284 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -115.04 6.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.828 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.82 117.38 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.651 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 -7.44 75.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.448 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 138.92 170.77 11.93 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.67 ' HA ' HG13 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.904 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -122.4 112.59 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 17' ' ' VAL . 6.3 m-85 -75.61 114.47 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.383 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -76.31 110.51 10.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -89.21 16.47 7.25 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.255 0.55 . . . . 0.0 111.366 -172.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -124.01 59.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.82 0.819 . . . . 0.0 108.963 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 117.18 26.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.241 -170.187 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.98 38.9 2.93 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 m -82.45 51.96 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 111.09 -175.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.54 -120.57 22.82 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.449 -0.796 . . . . 0.0 113.024 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 45.2 Cg_endo -88.44 -3.08 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.16 2.574 . . . . 0.0 113.144 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -119.13 160.38 22.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.534 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m -74.46 -17.71 60.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 31.8 mt -89.25 -58.7 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.343 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 69.66 113.29 0.05 OUTLIER 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.314 1.009 . . . . 0.0 110.809 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 t -82.08 76.9 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.129 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.27 -133.19 1.52 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.82 120.33 7.49 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.59 2.193 . . . . 0.0 111.352 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.08 71.15 2.91 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.98 -122.14 6.82 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 73.5 Cg_endo -80.47 125.62 5.74 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 112.64 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 30.7 Cg_exo -62.74 143.57 92.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.617 2.212 . . . . 0.0 110.756 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.8 -76.53 1.18 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.6 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.02 106.03 2.11 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.154 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.42 125.17 16.2 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.646 2.231 . . . . 0.0 111.73 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.2 113.24 4.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.33 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 20.7 ptm -100.2 122.65 49.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 4.5 Cg_exo -80.53 136.28 10.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.212 2.608 . . . . 0.0 112.078 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.2 Cg_endo -85.92 24.62 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.513 2.808 . . . . 0.0 112.595 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.62 151.75 5.7 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.964 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.03 139.88 14.81 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.924 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 99' ' ' ARG . 19.2 mmt180 -88.88 55.58 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.398 0.618 . . . . 0.0 110.953 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.35 87.74 0.31 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.101 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -114.7 120.48 40.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.708 0.289 . . . . 0.0 110.512 -175.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.51 -64.55 0.2 Allowed Glycine 0 C--N 1.321 -0.28 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -75.14 -44.44 46.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.78 -125.22 2.13 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.147 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -165.15 95.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.482 . . . . 0.0 110.63 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.316 178.501 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.613 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 101.361 -1.339 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.635 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 108.257 1.326 . 0.052 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.717 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.717 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 122.653 2.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 1 C4'-C3'-C2' 106.837 4.137 . 0.123 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.37 130.03 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.786 0.327 . . . . 0.0 110.631 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ttt -115.78 137.26 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.388 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.12 104.29 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.154 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.15 92.08 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.65 70.78 2.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.349 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -67.22 -35.02 78.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 110.599 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -114.9 95.53 5.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 tt -112.71 117.25 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.257 0.551 . . . . 0.0 110.804 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.88 163.78 36.29 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . -69.7 89.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.136 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 94.63 108.49 2.14 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG23 ' HB3' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG11 ' CE2' ' A' ' 46' ' ' PHE . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 " H1'" ' B' ' 1' ' ' ' A' . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.806 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.689 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.587 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.806 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' MET . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -129.24 133.14 47.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.522 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -83.64 125.94 32.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 46.0 mtpt -78.33 175.04 10.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.493 0.663 . . . . 0.0 110.339 177.046 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -138.64 64.35 1.49 Allowed 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 52' ' ' THR . 4.7 m-20 -50.9 129.57 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.53 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -74.68 87.89 2.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.41 67.85 0.37 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' ASP . 20.0 p -97.74 134.34 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.274 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 19' ' ' ARG . . . -86.04 -113.1 0.82 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.88 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.09 -33.09 0.34 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.428 2.085 . . . . 0.0 112.047 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.9 162.48 16.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.526 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HB3' HG13 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.433 ' HB ' HG23 ' A' ' 36' ' ' ILE . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.61 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 60.8 tp60 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -76.55 -16.0 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.3 mt -72.34 -23.5 61.15 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.097 0.475 . . . . 0.0 110.289 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -82.71 90.81 6.9 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.134 -175.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 p -67.51 -50.61 58.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.189 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.98 -125.39 2.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.607 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.76 119.98 7.13 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.164 2.576 . . . . 0.0 112.666 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -84.94 52.47 3.42 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.378 2.718 . . . . 0.0 112.21 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.2 30.18 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.43 112.64 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.712 2.275 . . . . 0.0 111.923 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -91.77 58.81 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.197 2.598 . . . . 0.0 112.502 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.15 26.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.706 -178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.83 0.74 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.26 79.01 1.47 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 111.979 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.38 72.33 2.36 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 113.263 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.451 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 19.9 ptp -155.57 63.05 3.47 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.373 174.21 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 38.6 Cg_exo -60.68 -56.64 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.669 2.246 . . . . 0.0 113.877 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 89.4 Cg_endo -84.58 64.68 6.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.691 1.594 . . . . 0.0 112.147 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.83 -100.23 2.63 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.281 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 132.2 -117.45 2.05 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.591 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -150.9 109.77 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.708 0.289 . . . . 0.0 110.234 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.49 167.72 26.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.43 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -99.79 72.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.54 76.53 2.09 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.795 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -164.71 120.36 1.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 171.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 141.17 77.29 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.714 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -157.11 136.5 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.395 -179.697 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.689 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C4'-C3' 103.398 -1.502 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.539 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 103.291 1.99 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.819 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 105.893 3.193 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.819 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 122.184 2.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.566 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.873 4.173 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.11 -68.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.375 . . . . 0.0 110.962 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.9 mtp -111.16 123.3 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.35 -59.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -155.89 162.42 40.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.843 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.54 59.73 2.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.275 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -79.47 -37.83 35.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 111.388 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -149.4 49.11 0.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.17 0.51 . . . . 0.0 110.827 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.807 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -79.5 68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.396 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.56 72.38 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.748 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.31 -6.04 80.94 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.62 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.86 142.35 3.38 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG23 HD21 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.796 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.634 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.796 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -138.18 128.65 26.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 77.0 m-85 -62.29 130.4 45.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD3' HG22 ' A' ' 57' ' ' ILE . 26.5 mtpp -70.32 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.594 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -166.71 159.3 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.51 66.25 8.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.362 0.601 . . . . 0.0 110.332 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.09 139.11 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.043 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.96 32.02 5.89 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.923 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.7 46.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.191 0.52 . . . . 0.0 110.13 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 168.49 32.37 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.15 5.77 5.78 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.667 2.244 . . . . 0.0 112.883 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -112.52 166.14 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG22 ' HD3' ' A' ' 47' ' ' LYS . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.807 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.443 HG12 HD13 ' A' ' 36' ' ' ILE . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t -72.76 -17.33 61.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 24' ' ' VAL . 22.8 mt -101.61 -7.98 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.028 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -67.49 -39.21 85.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.215 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 p -134.17 142.64 47.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.994 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.85 167.88 23.93 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 57.0 Cg_exo -52.42 -48.29 22.6 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.186 2.591 . . . . 0.0 113.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 2.6 Cg_endo -83.05 26.11 0.66 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.119 1.879 . . . . 0.0 112.128 176.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.31 -164.76 11.09 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 75.6 Cg_endo -83.0 124.4 3.84 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.725 2.284 . . . . 0.0 112.553 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 15.8 Cg_exo -69.62 -25.69 28.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.053 2.502 . . . . 0.0 112.002 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.16 -176.32 16.9 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.478 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.94 170.82 21.03 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.81 62.0 6.41 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.484 2.789 . . . . 0.0 111.976 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.85 67.59 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.173 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.6 ptp -146.46 88.88 6.01 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.124 0.487 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 88.4 Cg_exo -48.21 -47.67 18.99 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.224 2.616 . . . . 0.0 113.782 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 73.6 Cg_endo -75.3 65.27 6.33 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.72 1.613 . . . . 0.0 111.852 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.83 129.58 38.81 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.82 -6.6 82.82 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.036 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -116.66 -35.5 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.087 0.47 . . . . 0.0 110.282 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.39 -141.36 19.72 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.248 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -98.57 126.26 44.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.063 0.459 . . . . 0.0 110.171 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.4 -9.37 83.7 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.723 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -125.02 104.61 8.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.84 119.98 2.81 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.662 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -101.0 35.1 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 110.419 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.639 -179.571 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.511 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.515 -1.095 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.504 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 107.886 1.061 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.763 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 105.584 2.884 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.763 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 122.605 2.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.045 1 C4'-C3'-C2' 106.772 4.072 . 0.193 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.75 -15.97 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -102.68 24.21 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.604 0.716 . . . . 0.0 110.097 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.56 79.15 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -135.24 92.12 2.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.779 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.25 112.99 3.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.198 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 p -91.63 78.93 5.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.451 0.643 . . . . 0.0 110.293 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -94.47 103.91 15.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -100.65 73.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.389 0.614 . . . . 0.0 110.608 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.08 -146.25 17.88 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.122 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.11 19.95 15.25 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.682 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 179.31 103.64 0.17 Allowed Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' HD22 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.868 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.672 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.868 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -115.98 108.58 16.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 m-85 -65.38 132.53 49.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.049 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 6.8 mtmp? -79.85 118.44 21.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.89 13.18 1.82 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -171.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -170.8 114.89 0.44 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' NZ ' ' A' ' 47' ' ' LYS . 3.2 p30 -164.22 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.796 173.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.71 52.61 15.08 Favored Glycine 0 N--CA 1.452 -0.247 0 O-C-N 123.606 0.566 . . . . 0.0 112.223 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -74.56 68.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.534 0.683 . . . . 0.0 111.122 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.53 -129.78 9.39 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -90.21 17.62 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.872 2.381 . . . . 0.0 111.807 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.67 163.59 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' MET . . . . . 0.536 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -83.76 -19.85 34.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 45.5 mt -90.83 -53.51 4.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 82' ' ' ARG . 50.9 mtm180 67.92 -81.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.553 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -112.33 148.43 34.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -97.14 163.78 22.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.363 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.64 108.25 1.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.39 2.727 . . . . 0.0 112.165 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 60.9 Cg_endo -75.19 115.3 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.514 2.143 . . . . 0.0 111.835 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.58 -150.32 5.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.81 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB3' ' HB3' ' A' ' 92' ' ' PRO . 35.9 Cg_exo -60.84 115.28 2.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.874 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.77 91.24 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.601 2.201 . . . . 0.0 112.315 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.55 -67.45 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.058 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.36 121.43 1.25 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.816 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' HB3' ' A' ' 88' ' ' PRO . 67.8 Cg_endo -74.7 77.11 3.09 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.706 2.271 . . . . 0.0 112.437 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.02 154.86 19.57 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.378 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.7 ptm -148.04 78.25 9.7 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.07 0.462 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.63 -50.96 10.18 Favored 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.085 2.524 . . . . 0.0 114.73 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.75 125.39 15.95 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 122.057 1.838 . . . . 0.0 113.043 -174.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.44 149.58 20.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.26 47.17 0.31 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.765 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 99' ' ' ARG . 41.3 ttp180 -119.69 141.87 48.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.68 -143.53 4.65 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 101' ' ' ARG . 7.4 ttp180 -130.37 39.94 3.58 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.56 55.99 4.45 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.5 -177.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 58.23 31.29 20.62 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.856 0.462 . . . . 0.0 111.966 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.97 17.17 59.16 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.277 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 15.7 mm-40 -67.13 -52.36 42.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.716 0.293 . . . . 0.0 110.777 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.778 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.19 -1.455 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.587 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.758 1.398 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.763 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.669 2.969 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.763 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 P-O3'-C3' 122.634 2.445 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.719 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.966 4.266 . 0.11 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.8 179.1 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.405 0.621 . . . . 0.0 111.984 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -155.17 127.93 8.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.723 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.16 94.67 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.925 0.766 . . . . 0.0 110.873 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -90.4 125.52 35.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.65 0.23 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.32 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -80.62 92.0 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 0.0 109.986 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -131.51 137.03 48.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -110.99 165.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.586 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.32 174.45 43.11 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.11 70.71 2.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.598 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.18 106.08 3.01 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.731 ' HA ' HG13 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.894 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.63 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.894 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD12 HD12 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -115.81 106.76 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.29 127.18 32.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.7 148.46 46.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.117 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -61.06 -49.75 76.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.23 111.6 2.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.403 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -85.13 -57.26 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.41 40.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.6 p -72.75 -20.12 61.25 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.15 -126.97 3.37 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.59 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.552 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 87.0 Cg_endo -85.29 8.67 4.47 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.021 2.481 . . . . 0.0 112.53 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 1.8 mp0 -116.07 161.51 18.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.538 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m -77.19 -16.54 59.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 21.2 mt -90.6 -6.8 54.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.119 0.485 . . . . 0.0 109.718 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -75.21 75.28 2.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.101 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -81.58 89.93 6.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.02 113.19 0.55 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.912 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.74 146.75 89.07 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.722 2.281 . . . . 0.0 111.36 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.38 59.36 4.68 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.708 2.272 . . . . 0.0 111.835 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.18 -152.79 19.84 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 41.4 Cg_endo -69.37 122.77 9.55 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.354 2.036 . . . . 0.0 111.823 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 88' ' ' PRO . 20.1 Cg_endo -61.75 102.91 0.26 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.894 2.396 . . . . 0.0 112.148 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.64 -62.43 3.86 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.177 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.52 -138.75 15.1 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.87 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.94 119.99 5.29 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.227 2.618 . . . . 0.0 112.223 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.95 -126.26 4.74 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.497 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.0 ptp -118.36 99.11 51.66 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.211 0.529 . . . . 0.0 110.352 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 28.0 Cg_exo -62.83 154.91 63.07 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.86 2.373 . . . . 0.0 112.372 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.7 Cg_exo -70.66 69.27 2.16 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.324 2.683 . . . . 0.0 112.276 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.52 -50.83 0.74 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.905 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.67 -150.12 19.21 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -98.29 61.77 1.46 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.18 0.515 . . . . 0.0 110.596 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.57 -88.04 0.33 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.856 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.96 94.11 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.108 0.563 . . . . 0.0 111.446 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.7 167.37 32.07 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.873 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -83.58 -22.54 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 110.073 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.59 137.32 23.32 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.677 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -79.72 70.87 6.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.901 179.612 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.505 ' N3 ' HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.83 -1.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.461 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-C2' 108.257 1.327 . 0.068 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.816 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 105.706 3.006 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.816 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 P-O3'-C3' 122.583 2.402 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.591 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.894 1 C4'-C3'-C2' 106.817 4.117 . 0.238 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.63 14.1 9.61 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.644 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -165.81 148.96 7.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.957 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.99 -178.52 7.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.02 89.56 3.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.475 0.655 . . . . 0.0 110.293 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.02 31.65 0.73 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.213 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -68.28 -23.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.234 0.54 . . . . 0.0 109.679 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 8' ' ' ARG . 46.4 ttm180 -80.04 65.64 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.807 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.798 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 25.4 pt 39.12 66.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.04 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -92.11 -110.8 1.81 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.594 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.92 61.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 105.28 137.29 8.94 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG23 HD21 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HA ' HG13 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.634 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.637 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.858 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 -118.19 119.53 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.23 129.93 40.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.863 0.363 . . . . 0.0 110.226 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.66 -172.04 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.411 -176.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -102.58 123.62 46.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.474 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.93 126.15 46.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.22 30.84 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.32 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.64 26.14 59.44 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -22.26 28.89 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.398 -0.401 . . . . 0.0 111.286 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.43 166.21 33.15 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.312 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.56 2.83 7.77 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.624 2.216 . . . . 0.0 111.733 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -112.97 167.41 10.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.609 HG22 ' HD3' ' A' ' 47' ' ' LYS . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.514 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.798 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' LEU . 4.8 m-20 -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -67.68 -32.45 73.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 42.5 mt -77.95 -63.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.569 175.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 53.35 49.28 20.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.919 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -127.12 129.23 47.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.502 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -99.07 -86.68 1.89 Allowed Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 84' ' ' GLY . 36.3 Cg_endo -95.21 100.79 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.509 2.806 . . . . 0.0 111.724 173.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 14.1 Cg_exo -69.44 106.58 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.858 2.372 . . . . 0.0 112.113 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.4 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 131.76 -101.88 0.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.749 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 13.1 Cg_endo -92.7 110.13 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.556 2.837 . . . . 0.0 112.143 175.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.75 61.58 4.58 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.111 2.54 . . . . 0.0 112.521 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.93 -55.1 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.59 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.42 151.98 6.78 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.756 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.75 -30.18 50.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.572 2.182 . . . . 0.0 111.672 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.8 149.85 19.81 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.5 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . 49.6 ttm -78.75 -45.48 1.89 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 94' ' ' MET . 43.7 Cg_exo -59.28 116.43 3.27 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.814 1.676 . . . . 0.0 111.773 172.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 6.7 Cg_exo -73.42 159.46 46.5 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.193 2.595 . . . . 0.0 112.322 -175.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.09 -169.78 39.41 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.16 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.56 114.45 2.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.987 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -87.26 68.91 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 0.0 110.444 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.871 ' HA3' ' HB2' ' A' ' 103' ' ' ARG . . . 158.43 105.84 0.22 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.549 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.54 -34.69 77.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.487 . . . . 0.0 110.455 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.38 30.27 5.23 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.871 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 30.6 mtp180 -128.51 162.68 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.583 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.88 -110.82 3.71 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.394 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -80.07 77.23 6.78 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.0 110.175 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.953 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ' A' . . . . . 0.468 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ' G' . . . . . 0.634 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ' G' . . . . . 0.778 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.496 2.796 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ' G' . . . . . 0.778 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ' U' . . . . . 0.526 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 1 C4'-C3'-C2' 106.881 4.181 . 0.175 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.413 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.463 HG13 ' HA ' ' A' ' 19' ' ' ARG . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.413 ' CG2' ' HA ' ' A' ' 21' ' ' SER . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.611 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.87 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 . . . . . 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 mp0 . . . . . 0 N--CA 1.452 -0.37 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.549 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.598 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.469 HD13 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.608 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.608 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.591 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.584 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.711 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.407 ' HA ' HD22 ' A' ' 75' ' ' ASN . 8.8 m120 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.499 0 N-CA-C 112.274 -0.331 . . . . 0.0 112.274 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.508 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG13 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 77' ' ' LEU . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.891 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.891 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 66' ' ' ARG . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 . . . . . 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HG3' ' HA ' ' A' ' 18' ' ' PRO . 9.7 mp0 . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.421 HG23 ' HB3' ' A' ' 14' ' ' ASP . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.472 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.651 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.401 HD21 ' HA ' ' A' ' 25' ' ' VAL . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.921 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.921 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.454 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.571 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.406 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.627 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.753 0 N-CA-C 112.158 -0.377 . . . . 0.0 112.158 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' HG23 ' A' ' 57' ' ' ILE . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.557 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.464 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.551 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.405 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 HD12 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 28.0 mp0 . . . . . 0 N--CA 1.455 -0.22 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 14' ' ' ASP . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.627 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.522 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.781 ' HA ' HG13 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HA ' HD21 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.486 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 CA--C 1.516 -0.328 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.567 HG22 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.413 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.552 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.489 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.528 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.3 m120 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD21 ' HA ' ' A' ' 25' ' ' VAL . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m . . . . . 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.817 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.422 HG12 ' HB3' ' A' ' 67' ' ' CYS . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.464 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.597 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.597 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 N--CA 1.452 -0.351 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.409 HG23 ' HB3' ' A' ' 14' ' ' ASP . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 36' ' ' ILE . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 79' ' ' GLN . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.56 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.693 ' HA ' HG13 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.627 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.693 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.892 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.439 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.892 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.563 HD12 HD12 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.627 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.627 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.5 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.626 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.554 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m . . . . . 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.446 -0.634 0 N-CA-C 112.018 -0.433 . . . . 0.0 112.018 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.641 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.525 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.784 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.46 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.784 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 . . . . . 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.448 -0.573 0 CA-C-O 121.643 0.735 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.426 ' CE ' HG11 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.496 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.463 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . . . . . . 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB3' HG23 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.75 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG22 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' HD21 ' A' ' 77' ' ' LEU . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.469 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.63 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.63 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 . . . . . 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.7 mp0 . . . . . 0 N--CA 1.447 -0.583 0 CA-C-O 121.324 0.583 . . . . 0.0 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.527 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.561 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD21 ' HA ' ' A' ' 25' ' ' VAL . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 HD21 ' A' ' 78' ' ' LEU . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.73 ' HA ' HG13 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.566 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD23 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.872 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.435 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.481 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD23 HG12 ' A' ' 25' ' ' VAL . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.445 -0.712 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 19' ' ' ARG . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.669 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.876 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.53 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.876 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 . . . . . 0 N--CA 1.444 -0.737 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 56' ' ' LYS . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.461 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 69' ' ' HIS . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.669 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.449 -0.486 0 N-CA-C 112.184 -0.366 . . . . 0.0 112.184 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.618 ' HA ' HG13 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.444 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.607 HG12 HD22 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.902 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 31' ' ' GLU . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 29' ' ' SER . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.902 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.622 HD12 HD12 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 . . . . . 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 . . . . . 0 N--CA 1.447 -0.59 0 CA-C-O 121.47 0.653 . . . . 0.0 110.717 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.519 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.762 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.607 HD22 HG12 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m . . . . . 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.586 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.699 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.813 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.557 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.646 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.469 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.813 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 . . . . . 0 N--CA 1.45 -0.428 0 CA-C-O 121.006 0.431 . . . . 0.0 110.141 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.402 HG23 ' HB3' ' A' ' 14' ' ' ASP . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.515 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.564 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.631 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.631 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.67 ' HA ' HG13 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.574 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.904 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 . . . . . 0 N--CA 1.454 -0.233 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.534 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m . . . . . 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . . . . . . 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.547 HG23 ' HB3' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.42 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.806 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.806 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' MET . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.45 -0.435 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.526 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HB3' HG13 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.433 ' HB ' HG23 ' A' ' 36' ' ' ILE . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.61 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.412 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.51 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG23 HD21 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.796 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.796 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 . . . . . 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 . . . . . 0 N--CA 1.452 -0.339 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.51 ' CG2' ' HB2' ' A' ' 14' ' ' ASP . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . 0.468 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.443 HG12 HD13 ' A' ' 36' ' ' ILE . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' ' 75' ' ' ASN . 8.4 m120 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t . . . . . 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' HD22 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.502 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.868 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 28' ' ' ARG . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.672 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.868 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 . . . . . 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . 0.536 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p . . . . . 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.731 ' HA ' HG13 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.894 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.402 ' O ' HG22 ' A' ' 33' ' ' ILE . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.401 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.894 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.657 HD12 HD12 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 . . . . . 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 . . . . . 0 N--CA 1.455 -0.209 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.641 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.538 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m . . . . . 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . . . . . . 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.477 HG23 HD21 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HA ' HG13 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.475 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.637 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.858 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.523 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 . . . . . 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.476 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.514 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.49 0 N-CA-C 111.839 -0.504 . . . . 0.0 111.839 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.66 67.69 10.15 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.118 0.485 . . . . 0.0 110.45 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -79.6 82.22 5.75 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.77 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.8 -15.08 63.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.452 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -110.86 34.83 3.78 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.887 0.375 . . . . 0.0 110.689 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -90.57 15.07 61.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.304 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 11.9 m -79.74 -10.65 59.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.99 0.424 . . . . 0.0 111.09 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -91.63 125.3 36.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.406 -178.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 34.2 pt -90.49 -179.37 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.826 177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.39 -174.61 33.46 Favored Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 121.064 -0.589 . . . . 0.0 111.657 179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.67 72.71 2.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 121.08 -0.581 . . . . 0.0 111.754 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.598 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 118.72 109.32 2.38 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -175.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.2 pt -114.79 154.16 16.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 120.923 0.392 . . . . 0.0 111.286 -174.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 7.0 m-20 -99.91 107.61 19.65 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 179.173 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.458 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.5 m -98.76 134.28 21.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-O 120.887 0.375 . . . . 0.0 111.348 -176.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.9 Cg_endo -87.87 106.5 0.57 Allowed 'Trans proline' 0 N--CA 1.454 -0.852 0 C-N-CA 123.387 2.724 . . . . 0.0 112.151 178.336 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 46' ' ' PHE . 11.3 p -103.92 126.58 31.41 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.104 177.534 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -46.52 130.83 15.1 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.657 2.238 . . . . 0.0 111.7 177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.463 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.1 mtp85 -65.65 -15.86 63.17 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.609 -174.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.553 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 26.4 m-70 -95.72 12.85 28.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.925 0.393 . . . . 0.0 111.034 174.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.413 ' HA ' ' CG2' ' A' ' 24' ' ' VAL . 44.1 m -136.66 11.95 3.18 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.938 0.399 . . . . 0.0 110.815 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.478 ' HB ' ' O6 ' ' B' ' 3' ' ' ' G' . 8.2 m -65.44 -45.77 91.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.0 -0.546 . . . . 0.0 111.877 -177.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.88 -26.42 58.45 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.426 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.561 HG22 " H1'" ' B' ' 1' ' ' ' A' . 59.1 t -54.74 -58.85 2.99 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 C-N-CA 123.182 0.593 . . . . 0.0 112.085 175.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.611 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 18.0 m -66.38 -28.55 43.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.87 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.1 pt -82.72 -31.54 9.42 Favored 'Isoleucine or valine' 0 C--O 1.234 0.282 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.348 178.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.58 152.99 29.65 Favored Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 -175.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.554 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 79.2 ttt180 -63.94 -28.86 70.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.242 0.544 . . . . 0.0 110.903 -176.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 48.2 t -113.55 10.91 18.2 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.868 -179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.507 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 72.93 3.09 59.14 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.666 -179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -65.06 -27.0 68.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.148 0.499 . . . . 0.0 110.633 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.5 tpt -76.84 -48.77 17.47 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.1 -173.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.87 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.1 tt -69.69 -24.31 26.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.808 -178.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.507 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 49.5 mtmt -65.55 -29.69 70.34 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.318 175.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -73.64 -37.87 65.2 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 177.091 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.523 HG23 ' HB ' ' A' ' 73' ' ' ILE . 38.1 mt -62.91 -45.86 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.887 176.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -66.77 -29.53 69.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.931 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -73.45 -54.76 7.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.067 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -71.17 -16.29 62.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.805 -175.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -109.92 -21.47 12.32 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.27 34.79 75.63 Favored Glycine 0 CA--C 1.518 0.246 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.599 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG21 ' CB ' ' A' ' 70' ' ' ALA . 25.8 m -116.8 168.81 7.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.976 0.417 . . . . 0.0 111.697 -175.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.6 mmm180 -106.16 103.22 12.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.644 173.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.7 112.42 32.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -126.99 112.01 14.75 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.468 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.443 ' CE2' HG11 ' A' ' 17' ' ' VAL . 12.5 m-85 -59.53 126.73 28.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.034 175.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.456 ' HD3' HG22 ' A' ' 57' ' ' ILE . 49.7 mtpt -74.59 167.01 22.59 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 178.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.405 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 62.7 tt0 -52.5 -67.08 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 O-C-N 123.226 0.328 . . . . 0.0 110.315 -177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 48' ' ' GLN . 33.4 t0 175.24 100.28 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 O-C-N 123.712 0.633 . . . . 0.0 109.585 172.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.459 ' OD1' ' HB ' ' A' ' 57' ' ' ILE . 2.1 m-20 -58.81 -34.71 71.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.364 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 70.69 0.39 32.21 Favored Glycine 0 C--N 1.331 0.252 0 CA-C-N 115.484 -0.78 . . . . 0.0 113.539 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.5 t -91.04 59.81 4.14 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.093 0.949 . . . . 0.0 110.513 -176.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 150.95 174.66 22.12 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.858 178.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.641 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 83.5 Cg_endo -82.07 5.07 6.57 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 123.011 2.474 . . . . 0.0 112.007 177.149 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.641 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 18.2 mp0 -110.59 178.26 4.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.583 0.706 . . . . 0.0 111.187 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -110.9 140.33 45.47 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 172.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.476 ' CG2' ' HB3' ' A' ' 14' ' ' ASP . 34.8 mm -98.24 126.53 51.27 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.972 0 CA-C-O 121.748 0.785 . . . . 0.0 110.944 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -117.0 129.41 56.01 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.288 177.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -91.57 98.88 11.93 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 -176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.549 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.8 mt -83.58 105.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 176.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.598 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 47.1 mtm -104.32 143.7 32.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.721 -174.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 148.56 -159.67 28.11 Favored Glycine 0 N--CA 1.436 -1.307 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.413 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.0 Cg_exo -67.46 127.35 16.34 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.172 1.915 . . . . 0.0 111.015 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.432 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 48.5 Cg_exo -43.02 -46.75 8.79 Favored 'Trans proline' 0 CA--C 1.53 0.306 0 C-N-CA 123.828 3.019 . . . . 0.0 114.529 -171.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -59.76 -40.08 86.99 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 121.039 0.447 . . . . 0.0 110.753 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.481 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 48.2 mtt180 -71.29 -30.2 65.97 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.007 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 64.2 m -64.83 -40.3 94.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.755 176.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 41.0 mt-10 -65.03 -41.78 94.92 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.256 176.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.431 ' O ' HG13 ' A' ' 73' ' ' ILE . 12.9 t60 -62.08 -48.09 81.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.329 -0.85 . . . . 0.0 109.938 178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -61.25 -44.53 97.11 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.998 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.24 79.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.824 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -62.07 -39.57 92.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.358 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 36' ' ' ILE . 66.1 mt -62.83 -41.42 92.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.855 0.359 . . . . 0.0 110.469 -178.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.643 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 75.2 mt -70.73 -44.79 76.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.283 178.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -63.97 -41.32 97.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.5 -178.68 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -67.98 -33.32 74.41 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.245 0.545 . . . . 0.0 109.874 179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 22.4 tp -67.32 -29.83 69.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.225 177.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.3 mt -74.78 -45.06 46.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.644 0.735 . . . . 0.0 109.553 173.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -60.15 -32.2 70.81 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 114.779 -1.1 . . . . 0.0 111.292 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.48 ' O ' ' HA3' ' A' ' 84' ' ' GLY . 3.7 p -78.61 -15.15 58.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.891 0.376 . . . . 0.0 111.273 -179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 47.7 mt -77.85 -20.36 53.24 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 120.88 0.371 . . . . 0.0 110.135 175.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 17.7 mmt180 -74.61 86.93 2.13 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.599 -176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.2 m 63.31 23.06 13.62 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.094 -178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.48 ' HA3' ' O ' ' A' ' 80' ' ' SER . . . -70.54 -66.0 2.33 Favored Glycine 0 N--CA 1.45 -0.37 0 N-CA-C 111.554 -0.618 . . . . 0.0 111.554 175.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 3.9 Cg_exo -78.09 106.84 2.22 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.838 2.359 . . . . 0.0 110.874 172.374 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 14.5 Cg_exo -68.28 125.37 12.84 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.923 2.416 . . . . 0.0 112.913 -173.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -124.84 105.57 0.86 Allowed Glycine 0 N--CA 1.448 -0.508 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.599 177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.766 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 46.2 Cg_exo -54.36 -58.83 1.09 Allowed 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.896 2.398 . . . . 0.0 113.061 178.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.766 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 92.8 Cg_endo -93.64 172.2 1.85 Allowed 'Trans proline' 0 C--N 1.355 0.918 0 C-N-CA 121.972 1.782 . . . . 0.0 111.834 177.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.95 -45.72 3.52 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.809 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.423 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . -96.16 -117.84 3.37 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.816 177.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.423 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 3.0 Cg_exo -75.45 56.52 4.54 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.236 2.624 . . . . 0.0 111.974 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 178.08 97.99 0.11 Allowed Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.429 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.471 ' SD ' ' HD2' ' A' ' 95' ' ' PRO . 48.0 tpp -79.9 122.37 83.23 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-O 120.542 0.211 . . . . 0.0 110.957 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 32.3 Cg_endo -65.45 125.66 14.84 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.615 2.21 . . . . 0.0 111.619 176.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.9 Cg_exo -76.94 59.9 6.62 Favored 'Trans proline' 0 C--O 1.233 0.253 0 C-N-CA 123.51 2.807 . . . . 0.0 112.861 -176.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -71.94 148.62 43.3 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.021 178.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.23 179.19 48.44 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.555 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.4 tpt180 -77.15 69.69 3.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.131 0.491 . . . . 0.0 110.464 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.67 -8.41 69.18 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.091 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 57.4 ttp180 -56.24 133.29 52.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.923 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 111.49 -44.26 1.54 Allowed Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 115.729 -0.669 . . . . 0.0 111.492 -177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -110.65 -39.72 4.8 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.91 0.386 . . . . 0.0 110.477 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.73 68.86 3.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.879 -0.677 . . . . 0.0 112.091 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -95.2 9.53 39.37 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.931 0.396 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.418 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.82 -179.603 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.561 " H1'" HG22 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.009 -1.065 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.554 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 O4'-C1'-C2' 108.603 1.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.702 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C4'-C3'-C2' 105.726 3.026 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.702 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 P-O3'-C3' 122.691 2.493 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.538 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.941 1 C4'-C3'-C2' 106.83 4.13 . 0.164 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.603 0 N-CA-C 111.817 -0.513 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.52 123.49 24.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.288 -0.264 . . . . 0.0 110.288 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 14.5 tpt -87.97 99.09 11.89 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.884 0.374 . . . . 0.0 110.93 -179.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.66 98.61 11.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.895 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.5 p90 -89.86 129.78 36.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.272 0.558 . . . . 0.0 111.02 -176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 162.11 146.12 4.56 Favored Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.331 -0.849 . . . . 0.0 111.279 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 22.1 t -85.52 -61.65 1.71 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 65.2 ttt180 -172.78 113.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.815 0.341 . . . . 0.0 110.411 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.656 ' H ' HD13 ' A' ' 9' ' ' ILE . 0.2 OUTLIER -123.41 160.55 26.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 177.003 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 174.8 -169.44 42.38 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.843 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.79 79.09 1.6 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 121.081 -0.58 . . . . 0.0 111.677 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.591 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.15 107.01 3.07 Favored Glycine 0 N--CA 1.444 -0.808 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 -174.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 32.3 pt -119.48 148.82 22.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-O 120.696 0.284 . . . . 0.0 111.129 -174.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -94.55 114.28 26.23 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.481 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.3 m -105.07 133.59 20.07 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.801 -177.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 7.7 Cg_endo -88.08 116.49 1.0 Allowed 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 123.275 2.65 . . . . 0.0 111.697 175.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.8 p -112.97 125.6 29.56 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.152 178.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -51.67 140.95 45.15 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.525 2.15 . . . . 0.0 111.761 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.2 mtt180 -69.16 -15.28 63.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.555 -175.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 -77.26 -5.18 48.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.085 172.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.595 ' O ' HG22 ' A' ' 24' ' ' VAL . 61.3 p -134.35 3.89 3.39 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -173.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -55.99 -45.96 80.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 112.128 0.418 . . . . 0.0 112.128 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.545 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.61 -30.74 28.99 Favored Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.295 -0.955 . . . . 0.0 112.287 -178.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.609 HG21 HD11 ' A' ' 81' ' ' LEU . 1.4 m -58.7 -36.32 59.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 N-CA-C 112.105 0.409 . . . . 0.0 112.105 179.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.636 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 19.3 m -81.91 -28.67 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.065 0 C-N-CA 120.471 -0.492 . . . . 0.0 111.296 -176.486 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -83.55 -30.65 8.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 120.952 0.406 . . . . 0.0 111.118 177.643 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.51 175.79 34.15 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 111.4 -0.68 . . . . 0.0 111.4 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 9.0 ptm180 -84.27 0.99 46.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 117.263 0.532 . . . . 0.0 110.824 -178.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.7 t -147.77 7.66 0.85 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.31 0.576 . . . . 0.0 110.681 -178.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.562 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 80.19 -10.33 42.59 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.45 -0.881 . . . . 0.0 112.595 -177.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.65 -37.62 41.71 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.871 0.367 . . . . 0.0 111.302 176.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.426 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 14.5 tpt -69.12 -47.83 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.189 -175.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.9 tt -71.18 -28.93 34.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.53 -178.364 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 48.7 mtmt -70.39 -27.9 64.67 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 176.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 tmtm? -71.04 -38.75 72.56 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 173.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.469 HD13 HG12 ' A' ' 74' ' ' ILE . 73.9 mt -64.08 -44.37 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.181 0.515 . . . . 0.0 110.058 177.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.608 ' HG2' HG13 ' A' ' 44' ' ' ILE . 44.7 mt-30 -68.0 -34.07 75.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.038 179.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -75.42 -48.24 23.72 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.898 0.38 . . . . 0.0 110.742 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -56.76 -41.57 77.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.068 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.439 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -90.98 -21.08 21.48 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.827 -178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.39 22.11 65.65 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.86 -0.686 . . . . 0.0 111.602 -177.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.439 HG22 ' HB3' ' A' ' 40' ' ' ALA . 30.9 m -102.83 -179.26 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.871 0.367 . . . . 0.0 111.278 -175.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.8 tpt180 -130.47 110.08 11.19 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 173.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.608 HG13 ' HG2' ' A' ' 37' ' ' GLN . 26.6 mt -103.8 130.9 53.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.119 -175.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -137.53 123.4 20.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.347 178.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -66.63 129.26 39.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.117 0.484 . . . . 0.0 110.353 175.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.447 ' HD3' HG22 ' A' ' 57' ' ' ILE . 46.2 mtpt -85.16 -14.3 47.4 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 31.3 tp60 65.36 31.89 10.13 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.617 -1.174 . . . . 0.0 111.49 170.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 123.89 20.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.49 175.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -120.14 149.34 42.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.066 179.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.12 -12.39 69.71 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.113 -177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.5 p -69.88 -39.96 75.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.016 0.436 . . . . 0.0 111.283 -179.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 165.29 -158.78 31.76 Favored Glycine 0 N--CA 1.446 -0.689 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.822 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.417 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 92.8 Cg_endo -81.86 12.46 2.78 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.082 2.521 . . . . 0.0 113.104 -178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.417 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 2.5 mp0 -113.57 179.29 4.0 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.512 0.673 . . . . 0.0 110.87 176.325 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.413 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.2 tppp? -134.18 123.21 23.98 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.156 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.447 HG22 ' HD3' ' A' ' 47' ' ' LYS . 35.9 mm -80.45 128.93 38.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-O 121.558 0.694 . . . . 0.0 111.343 -178.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -127.08 131.1 50.95 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.745 -1.116 . . . . 0.0 109.832 178.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.43 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 10.8 t-160 -94.21 100.55 12.6 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.591 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.0 mt -83.85 107.28 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 176.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.584 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 45.2 mtm -103.36 150.51 23.74 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.953 -174.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 138.48 -157.91 24.75 Favored Glycine 0 N--CA 1.443 -0.842 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.456 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.3 Cg_exo -69.17 129.87 19.02 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.393 2.062 . . . . 0.0 110.229 174.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 83.6 Cg_exo -49.7 -35.59 38.97 Favored 'Trans proline' 0 C--N 1.343 0.273 0 C-N-CA 124.05 3.166 . . . . 0.0 114.202 -173.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -69.57 -36.91 76.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.079 0.466 . . . . 0.0 110.164 178.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.449 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 85.7 mtt180 -78.77 -26.48 44.53 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.067 -179.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 85.5 m -62.4 -40.01 95.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.6 mt-10 -74.18 -36.92 64.07 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.806 178.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.446 ' O ' HG13 ' A' ' 73' ' ' ILE . 61.7 t60 -58.68 -48.52 80.81 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 174.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.75 -43.9 97.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.812 177.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.9 -42.84 85.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.183 178.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.576 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 57.6 mtt180 -65.6 -36.84 84.89 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.586 -177.507 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 69' ' ' HIS . 76.9 mt -60.83 -43.77 96.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.077 0.465 . . . . 0.0 110.256 177.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.711 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 77.2 mt -70.34 -46.02 72.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.309 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.407 ' HA ' HD22 ' A' ' 75' ' ' ASN . 8.8 m120 -60.23 -41.5 93.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.896 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -65.12 -37.52 87.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.207 0.527 . . . . 0.0 110.043 178.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.636 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 24.9 tp -63.15 -43.62 97.81 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.289 177.587 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.711 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.3 mt -61.69 -48.19 81.9 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.678 0.752 . . . . 0.0 109.749 176.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -61.33 -33.13 73.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.508 -176.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.4 t -74.54 -24.91 59.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.954 0.407 . . . . 0.0 110.622 -176.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.609 HD11 HG21 ' A' ' 24' ' ' VAL . 38.4 mt -84.1 -35.19 23.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.339 0.59 . . . . 0.0 109.629 176.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -66.5 -64.7 0.8 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.419 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.4 m 47.74 59.75 3.97 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.613 -0.722 . . . . 0.0 111.557 -179.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -87.4 -179.77 48.11 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.614 179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -57.66 119.62 7.0 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.801 2.334 . . . . 0.0 112.027 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.41 -25.35 48.82 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 123.017 2.478 . . . . 0.0 112.689 -178.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 125.36 -88.35 0.37 Allowed Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.791 -0.718 . . . . 0.0 111.729 -178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 26.7 Cg_exo -62.17 138.19 70.82 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.867 2.378 . . . . 0.0 111.693 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 27.0 Cg_exo -62.69 99.35 0.21 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.038 2.492 . . . . 0.0 112.11 178.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -170.64 -156.11 11.07 Favored Glycine 0 N--CA 1.446 -0.664 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 97.38 -109.32 3.81 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.601 -0.809 . . . . 0.0 112.284 179.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.59 99.72 0.54 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.871 2.381 . . . . 0.0 112.757 -179.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 108.16 53.26 0.65 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.487 176.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 67.6 mtm -108.99 115.94 56.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 122.747 -0.266 . . . . 0.0 110.664 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.411 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 9.7 Cg_exo -72.08 121.38 7.5 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.72 2.28 . . . . 0.0 111.269 174.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 5.2 Cg_exo -78.08 45.13 1.73 Allowed 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 123.399 2.733 . . . . 0.0 112.313 -178.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.73 155.36 8.19 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.53 -0.628 . . . . 0.0 111.53 -179.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.33 142.54 3.52 Favored Glycine 0 N--CA 1.442 -0.905 0 C-N-CA 120.434 -0.889 . . . . 0.0 112.271 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 22.2 mmt180 -115.89 -9.92 11.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.746 0.308 . . . . 0.0 110.811 177.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.87 -62.9 3.88 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 121.024 -0.607 . . . . 0.0 112.331 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -70.3 -62.3 1.44 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.5 105.32 2.73 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.27 -179.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -96.6 -6.47 36.72 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.209 -0.293 . . . . 0.0 110.209 179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -59.07 118.1 13.11 Favored Glycine 0 C--N 1.335 0.484 0 C-N-CA 121.138 -0.553 . . . . 0.0 112.477 -178.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.418 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 12.3 mm-40 59.97 26.68 15.98 Favored 'General case' 0 N--CA 1.463 0.225 0 C-N-CA 122.838 0.455 . . . . 0.0 110.918 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.058 -179.568 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.508 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C3'-C2'-C1' 100.573 -1.031 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.554 " O5'" ' H8 ' ' B' ' 2' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.927 0 C3'-C2'-C1' 103.469 2.188 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.782 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.835 3.135 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.782 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 P-O3'-C3' 122.101 2.001 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.607 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.428 -0.78 1 C4'-C3'-C2' 106.884 4.184 . 0.161 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.634 0 N-CA-C 112.195 -0.362 . . . . 0.0 112.195 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.79 57.48 3.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.959 0.409 . . . . 0.0 111.845 -176.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 63.8 mtt -125.11 108.5 11.86 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.07 102.99 14.07 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.357 -174.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -137.03 95.14 3.05 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.552 176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 102.05 24.97 8.18 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.882 -0.675 . . . . 0.0 112.305 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 31.4 m -81.78 70.39 8.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.368 0.604 . . . . 0.0 110.317 179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -83.64 -72.22 0.47 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.52 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 11' ' ' GLY . 3.1 mp -85.1 128.79 38.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.216 -177.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -103.71 44.68 1.44 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.193 -0.527 . . . . 0.0 112.837 -178.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 9' ' ' ILE . . . 98.47 -120.43 6.82 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.268 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.488 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -70.89 127.8 15.98 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.274 179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.7 pt -114.76 164.03 11.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.834 0.349 . . . . 0.0 111.094 -176.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.421 ' HB3' HG23 ' A' ' 57' ' ' ILE . 10.1 m-20 -106.4 120.6 42.32 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.534 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.508 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.9 m -116.17 135.03 22.72 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-O 120.933 0.397 . . . . 0.0 111.141 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 26.4 Cg_endo -90.85 117.89 0.57 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 123.118 2.545 . . . . 0.0 113.018 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -112.76 121.26 39.02 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.338 176.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.521 ' HA ' ' HG3' ' A' ' 55' ' ' GLU . 73.3 Cg_exo -50.54 136.51 40.99 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.755 2.304 . . . . 0.0 112.743 -179.264 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.621 ' HA ' HG13 ' A' ' 22' ' ' VAL . 22.0 mtp180 -60.18 -23.16 63.75 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.253 -177.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -87.98 11.49 15.77 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.986 177.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 24' ' ' VAL . 16.2 m -143.55 14.86 1.79 Allowed 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.953 0.406 . . . . 0.0 110.973 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.9 m -63.82 -41.9 94.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.509 -178.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -83.25 -31.0 29.29 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.439 -0.886 . . . . 0.0 112.129 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 21' ' ' SER . 2.1 m -57.86 -37.78 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' HA ' HD21 ' A' ' 77' ' ' LEU . 11.6 m -82.41 -28.28 8.91 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 120.243 -0.583 . . . . 0.0 111.732 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.891 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.75 -31.87 9.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.978 0.418 . . . . 0.0 110.69 176.723 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.93 171.49 28.79 Favored Glycine 0 N--CA 1.443 -0.891 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 18.7 ttp85 -69.28 -28.5 66.35 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.403 0.621 . . . . 0.0 110.435 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.4 t -128.69 13.3 6.41 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.322 -0.854 . . . . 0.0 110.6 -174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.609 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 78.38 -2.82 65.07 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.392 -0.909 . . . . 0.0 112.003 -175.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.513 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 11.9 mm-40 -53.0 -34.91 58.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.33 0.586 . . . . 0.0 111.281 178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.403 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 12.5 tpt -77.92 -43.71 29.14 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.246 -0.888 . . . . 0.0 111.422 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.891 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 20.1 tt -72.0 -28.39 29.81 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.094 0 C-N-CA 120.182 -0.607 . . . . 0.0 110.522 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.513 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.8 mtmt -63.83 -31.81 73.11 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 174.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.8 tmtm? -68.9 -43.25 75.63 Favored 'General case' 0 C--O 1.219 -0.511 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.6 175.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 56.3 mt -63.61 -43.78 98.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.945 0.402 . . . . 0.0 110.439 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.521 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.1 mt-30 -64.74 -44.67 89.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.035 177.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 t30 -68.34 -48.79 63.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.0 -178.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.44 -41.83 73.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.531 -178.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.96 -22.21 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -177.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.8 39.28 17.63 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 121.218 -0.515 . . . . 0.0 112.585 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.424 HG13 ' HB3' ' A' ' 66' ' ' ARG . 18.9 m -124.66 172.48 12.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.936 0.398 . . . . 0.0 111.609 -177.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 28.9 mmt180 -108.1 108.93 20.22 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.221 173.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.521 HG13 ' HG2' ' A' ' 37' ' ' GLN . 15.2 mt -109.73 104.13 16.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 120.889 0.375 . . . . 0.0 110.809 -176.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -115.66 130.41 56.85 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.561 176.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.454 ' HB2' ' H22' ' B' ' 3' ' ' ' G' . 2.8 m-30 -72.4 126.49 29.97 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HD3' HG22 ' A' ' 57' ' ' ILE . 46.3 mtpt -77.21 50.49 0.76 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.687 -0.233 . . . . 0.0 111.594 -172.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 60.33 -82.21 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 123.583 0.753 . . . . 0.0 110.296 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -155.03 116.62 4.08 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 172.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 57' ' ' ILE . 5.5 t70 -77.31 -18.36 57.55 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.347 0.594 . . . . 0.0 109.749 -175.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.24 26.18 73.47 Favored Glycine 0 N--CA 1.448 -0.516 0 CA-C-N 115.009 -0.996 . . . . 0.0 111.608 179.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 37.8 m -121.43 92.8 3.83 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.128 0.489 . . . . 0.0 111.223 -173.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.85 -168.31 47.15 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.875 -0.602 . . . . 0.0 112.989 176.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.692 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 58.6 Cg_endo -85.19 10.45 3.73 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 123.482 2.788 . . . . 0.0 112.141 178.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.692 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 9.7 mp0 -112.63 166.69 11.11 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.593 0.711 . . . . 0.0 110.846 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.477 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.1 tppp? -109.96 125.35 52.77 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 174.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.517 HG22 ' HD3' ' A' ' 47' ' ' LYS . 27.5 mm -81.81 123.64 38.23 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.913 0 CA-C-O 121.728 0.775 . . . . 0.0 110.696 179.424 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.421 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -108.65 131.16 55.17 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-N 114.314 -1.312 . . . . 0.0 109.343 178.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -94.44 98.49 10.9 Favored 'General case' 0 C--N 1.314 -0.958 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 59.8 mt -84.04 103.97 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.794 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.472 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.3 mtm -104.81 142.15 35.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.648 -176.434 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 151.23 -163.89 29.95 Favored Glycine 0 N--CA 1.44 -1.08 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.299 176.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.651 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 25.6 Cg_exo -64.31 126.42 16.99 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.42 2.08 . . . . 0.0 111.06 173.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -43.11 -43.65 9.78 Favored 'Trans proline' 0 N--CA 1.477 0.514 0 C-N-CA 123.903 3.069 . . . . 0.0 114.77 -171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -61.92 -36.68 82.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.25 0.548 . . . . 0.0 111.13 -179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.651 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 83.1 mtt180 -69.72 -35.33 74.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.977 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 58.7 m -61.67 -39.13 90.3 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.377 178.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 29.6 mt-10 -63.23 -45.05 93.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.338 176.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.459 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.3 t-160 -57.86 -48.34 80.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.917 176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -62.39 -45.33 93.62 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.673 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.97 -41.56 83.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.144 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.481 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 53.2 mtt180 -65.02 -38.07 89.71 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.314 -178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.0 mt -59.84 -48.69 86.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.9 179.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -67.22 -43.79 88.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.846 0.355 . . . . 0.0 110.388 -178.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.2 -46.44 88.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.703 -178.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -68.8 -31.58 70.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.907 0.384 . . . . 0.0 110.563 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 49.5 tp -62.9 -49.6 74.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.204 176.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.3 mt -56.96 -45.66 82.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.474 0.654 . . . . 0.0 110.24 175.523 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -62.81 -31.63 72.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.932 -1.031 . . . . 0.0 111.648 -177.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 t -72.15 -37.37 69.41 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.094 0.473 . . . . 0.0 109.879 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.487 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 27.5 mt -71.11 -40.19 71.63 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.671 176.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 46.0 ttm180 -59.59 -64.42 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.028 -178.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.1 t 49.3 61.15 3.29 Favored 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.216 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -71.02 -74.97 0.66 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.476 177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_endo -83.89 110.54 1.6 Allowed 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 122.804 2.336 . . . . 0.0 111.664 173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.67 144.0 66.65 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.838 2.359 . . . . 0.0 111.963 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' N ' ' HD2' ' A' ' 88' ' ' PRO . . . 174.4 -60.29 0.12 Allowed Glycine 0 N--CA 1.449 -0.47 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.65 -174.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 18.5 Cg_endo -59.47 127.82 25.13 Favored 'Trans proline' 0 C--N 1.349 0.578 0 C-N-CA 122.862 2.374 . . . . 0.0 111.906 175.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 11.0 Cg_exo -71.08 -179.0 3.15 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.918 2.412 . . . . 0.0 112.126 179.283 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -56.9 -61.32 7.64 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.175 -0.536 . . . . 0.0 112.884 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.48 -160.73 33.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.47 -0.871 . . . . 0.0 112.422 -179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -79.43 47.12 2.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 123.006 2.471 . . . . 0.0 112.746 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.429 ' O ' ' HB3' ' A' ' 94' ' ' MET . . . -96.6 -163.36 32.79 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 121.059 -0.591 . . . . 0.0 111.845 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.686 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 47.5 ttm 70.83 129.31 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.401 0 C-N-CA 123.286 0.634 . . . . 0.0 111.369 -178.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 29.9 Cg_endo -92.05 94.6 0.19 Allowed 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.217 2.611 . . . . 0.0 111.79 175.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.686 ' HD3' ' O ' ' A' ' 94' ' ' MET . 92.2 Cg_endo -95.15 32.49 0.18 Allowed 'Trans proline' 0 N--CA 1.452 -0.934 0 C-N-CA 122.965 2.443 . . . . 0.0 112.539 -175.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -70.02 115.23 6.01 Favored Glycine 0 N--CA 1.449 -0.454 0 CA-C-N 115.908 -0.587 . . . . 0.0 112.782 -176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.1 -73.21 2.0 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 121.127 -0.559 . . . . 0.0 113.404 175.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -82.15 -12.33 58.23 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.613 0.244 . . . . 0.0 111.513 -175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -88.45 -79.15 1.29 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.506 -0.854 . . . . 0.0 111.749 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -126.54 119.01 26.05 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 178.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -164.78 153.42 23.64 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.387 -0.685 . . . . 0.0 111.387 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.3 mmm180 -111.83 116.81 31.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.05 0.452 . . . . 0.0 110.714 -176.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -92.04 -142.1 10.68 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.303 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -80.13 86.49 5.56 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.142 0.496 . . . . 0.0 110.895 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.619 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.72 178.513 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.502 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 C3'-C2'-C1' 99.833 -1.852 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.548 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.913 0 O4'-C1'-C2' 108.468 1.477 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.668 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 C1'-O4'-C4' 107.091 -2.788 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.668 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 P-O3'-C3' 122.833 2.611 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.856 1 C4'-C3'-C2' 106.821 4.121 . 0.205 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.467 0 N-CA-C 112.012 -0.435 . . . . 0.0 112.012 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -131.59 70.5 1.47 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 120.94 0.4 . . . . 0.0 110.005 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.4 mtm -141.69 77.24 1.58 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.213 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.82 66.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.391 0.615 . . . . 0.0 110.178 176.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -130.82 140.3 50.25 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.362 -0.835 . . . . 0.0 110.188 -177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 149.06 -66.53 0.38 Allowed Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 40.2 m 57.04 39.07 29.51 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 120.98 0.419 . . . . 0.0 111.559 176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.585 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 51.4 mtp180 -100.5 72.45 1.58 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.896 0.379 . . . . 0.0 110.025 178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.431 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.6 mp -78.21 93.47 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.594 -179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.07 -68.59 1.67 Allowed Glycine 0 CA--C 1.518 0.239 0 CA-C-N 115.835 -0.621 . . . . 0.0 113.404 176.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.515 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . 124.55 -88.82 0.39 Allowed Glycine 0 N--CA 1.445 -0.754 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.571 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -90.07 112.73 4.09 Favored Glycine 0 N--CA 1.447 -0.6 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 174.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.3 pt -109.88 151.59 12.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.766 0.317 . . . . 0.0 111.317 -173.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' HB3' HG23 ' A' ' 57' ' ' ILE . 39.6 m-20 -96.33 119.27 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.331 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.6 m -111.97 129.86 23.81 Favored Pre-proline 0 C--N 1.32 -0.715 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.042 179.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 3.2 Cg_exo -82.46 119.98 3.13 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 123.243 2.629 . . . . 0.0 112.531 177.301 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.5 p -116.21 124.04 30.11 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.433 178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -45.16 131.74 11.34 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 123.005 2.47 . . . . 0.0 112.726 179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.492 ' HA ' HG13 ' A' ' 22' ' ' VAL . 59.7 mtp180 -65.96 -16.7 64.11 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 112.066 -175.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -83.42 -19.09 36.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.001 0.429 . . . . 0.0 110.433 174.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.59 ' O ' HG22 ' A' ' 24' ' ' VAL . 10.0 m -115.41 14.82 16.8 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.856 0.36 . . . . 0.0 111.412 -174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.492 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.4 m -63.47 -46.35 95.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.567 179.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.583 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -80.53 -31.42 37.12 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.946 -1.121 . . . . 0.0 111.728 -179.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 21' ' ' SER . 1.3 m -57.61 -36.66 55.04 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 179.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 17.7 m -82.9 -27.53 8.1 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.738 -178.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.921 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.7 -27.71 8.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.95 177.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.82 -178.43 25.96 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.12 176.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.608 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 52.2 ttp180 -81.28 -14.21 57.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.033 0.444 . . . . 0.0 110.239 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.4 t -140.92 14.1 2.27 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.317 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 77.78 -7.14 43.57 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.473 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -57.15 -35.02 69.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.058 0.456 . . . . 0.0 110.897 179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.453 ' O ' HG13 ' A' ' 36' ' ' ILE . 15.8 tpt -70.62 -45.42 65.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.231 -176.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.921 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.5 tp -68.97 -31.84 52.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.293 0 C-N-CA 120.66 -0.416 . . . . 0.0 110.223 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -70.51 -28.45 64.96 Favored 'General case' 0 CA--C 1.518 -0.275 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -71.48 -36.66 71.23 Favored 'General case' 0 C--O 1.22 -0.497 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 174.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 67.0 mt -65.18 -45.06 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.281 0.562 . . . . 0.0 109.571 175.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -63.07 -38.54 91.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.365 176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -73.04 -43.69 61.7 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.942 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -67.76 -26.44 66.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.61 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.7 -22.81 12.08 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.07 40.59 16.13 Favored Glycine 0 CA--C 1.521 0.425 0 C-N-CA 121.002 -0.618 . . . . 0.0 113.035 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.9 m -126.61 170.77 16.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.12 0.486 . . . . 0.0 111.988 -175.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -113.26 109.37 18.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.382 -0.827 . . . . 0.0 109.494 174.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 HG12 HG12 ' A' ' 60' ' ' ILE . 55.9 mt -99.88 119.46 47.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.307 -0.257 . . . . 0.0 110.307 -177.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -118.53 111.16 18.26 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 -73.98 129.52 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.551 176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -88.76 149.67 23.33 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -78.94 121.32 24.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.807 0.336 . . . . 0.0 110.584 -179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -90.19 161.61 15.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.056 -0.52 . . . . 0.0 109.687 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -104.41 20.53 18.31 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.379 0.609 . . . . 0.0 110.216 178.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 81.28 9.84 85.47 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.674 -177.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.8 t -103.36 111.25 23.58 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.312 0.577 . . . . 0.0 110.593 -177.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 108.24 158.48 19.71 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.978 -178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 61.4 Cg_endo -88.59 -8.72 5.14 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.672 2.248 . . . . 0.0 112.897 -179.558 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.603 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -120.18 160.65 22.49 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.742 0.782 . . . . 0.0 111.864 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 5.3 tppt? -110.12 135.67 50.56 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 114.051 -1.431 . . . . 0.0 107.637 173.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.453 HG23 ' HB3' ' A' ' 14' ' ' ASP . 31.3 mm -87.21 126.45 40.99 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 C-N-CA 119.809 -0.757 . . . . 0.0 110.937 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.41 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -117.44 122.09 42.82 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.767 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -91.25 98.74 11.91 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-O 120.907 0.384 . . . . 0.0 109.974 -177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.454 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.8 mt -83.66 105.4 13.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 177.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.571 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 57.6 mtm -105.1 144.64 31.61 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.732 -175.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.9 -161.45 28.09 Favored Glycine 0 N--CA 1.439 -1.158 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.084 -178.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.455 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 17.0 Cg_exo -67.95 123.03 10.2 Favored 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.358 2.038 . . . . 0.0 111.164 174.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.585 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 59.7 Cg_exo -41.69 -47.15 6.24 Favored 'Trans proline' 0 N--CA 1.473 0.304 0 C-N-CA 123.994 3.129 . . . . 0.0 114.673 -172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -56.73 -42.96 80.16 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.956 0.408 . . . . 0.0 111.318 178.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.455 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -65.04 -35.37 80.94 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 178.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 62.2 m -68.73 -36.65 78.67 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.679 178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -65.53 -40.29 92.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.152 0.501 . . . . 0.0 110.158 175.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.413 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t60 -62.49 -48.76 78.18 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.777 175.075 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.7 -44.73 90.4 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.718 -179.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.07 92.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 178.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.402 ' O ' ' HD2' ' A' ' 72' ' ' ARG . 2.4 tmm_? -60.0 -42.44 94.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.128 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 69' ' ' HIS . 60.3 mt -59.95 -51.49 72.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.119 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.641 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -65.86 -42.57 92.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.298 -177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.432 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -62.87 -46.75 86.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.345 -179.579 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -64.3 -37.7 88.43 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.982 0.42 . . . . 0.0 110.283 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.99 -45.74 93.6 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.559 177.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.641 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.9 mt -60.14 -48.03 83.45 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.517 0.675 . . . . 0.0 109.956 175.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -59.65 -34.27 72.61 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.708 -1.133 . . . . 0.0 111.447 -177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 66.8 m -68.83 -29.29 67.59 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.965 0.412 . . . . 0.0 111.278 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 HD11 HG21 ' A' ' 24' ' ' VAL . 21.9 mt -70.16 -22.18 63.0 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.43 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 90.8 mtt180 -105.8 18.08 22.7 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.768 -174.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.5 m -73.18 -30.33 63.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.128 0.49 . . . . 0.0 110.58 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.52 -175.74 17.18 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.829 -0.7 . . . . 0.0 111.752 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.435 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 30.2 Cg_endo -63.37 121.19 8.9 Favored 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.844 2.363 . . . . 0.0 112.034 179.261 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 23.5 Cg_exo -63.99 111.67 1.63 Allowed 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.653 2.236 . . . . 0.0 111.934 179.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -170.94 -83.22 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.647 0 N-CA-C 111.353 -0.699 . . . . 0.0 111.353 179.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 57.3 Cg_endo -75.33 107.06 2.39 Favored 'Trans proline' 0 CA--C 1.535 0.537 0 C-N-CA 122.556 2.171 . . . . 0.0 111.716 175.504 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 10.1 Cg_exo -71.08 -26.84 21.02 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 123.123 2.549 . . . . 0.0 112.564 -175.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -77.9 64.27 3.39 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 121.15 -0.548 . . . . 0.0 112.407 -179.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.468 ' HA2' ' HD3' ' A' ' 92' ' ' PRO . . . -94.95 120.84 6.58 Favored Glycine 0 N--CA 1.446 -0.658 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 176.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD3' ' HA2' ' A' ' 91' ' ' GLY . 7.1 Cg_exo -74.0 43.61 0.86 Allowed 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.305 2.67 . . . . 0.0 113.109 -176.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -77.56 -35.85 35.4 Favored Glycine 0 N--CA 1.447 -0.616 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 175.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.433 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 22.7 ttt -120.92 118.95 30.16 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 175.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 12.2 Cg_exo -70.2 113.66 3.52 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.653 2.235 . . . . 0.0 112.157 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 3.2 Cg_endo -84.94 79.43 2.38 Favored 'Trans proline' 0 N--CA 1.454 -0.834 0 C-N-CA 123.331 2.687 . . . . 0.0 111.378 178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 99.03 134.96 8.7 Favored Glycine 0 N--CA 1.446 -0.699 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -174.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -89.19 -135.46 5.54 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.317 -177.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 99' ' ' ARG . 18.2 ttt180 -136.71 51.81 1.97 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -72.69 79.3 0.7 Allowed Glycine 0 N--CA 1.449 -0.49 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.681 -178.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' A' ' 101' ' ' ARG . 18.1 mmt180 -105.08 84.55 2.14 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 176.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 154.92 -127.86 2.18 Favored Glycine 0 N--CA 1.444 -0.783 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.498 -176.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 63.64 75.78 0.38 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.66 0.743 . . . . 0.0 110.56 -179.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -118.97 -128.16 3.76 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.654 -0.978 . . . . 0.0 110.654 175.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 81.6 mm-40 -125.18 79.66 1.82 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.15 0.5 . . . . 0.0 109.898 174.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.844 -177.374 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.608 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C4'-C3' 103.983 -1.083 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.439 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.991 0 C3'-C2'-C1' 102.939 1.599 . 0.059 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.7 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 C4'-C3'-C2' 106.1 3.4 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.7 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.831 0 P-O3'-C3' 122.936 2.697 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.699 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.879 1 C4'-C3'-C2' 106.854 4.154 . 0.177 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.869 0 N-CA-C 112.249 -0.34 . . . . 0.0 112.249 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 5' ' ' TYR . . . -94.02 136.88 33.83 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.993 0.425 . . . . 0.0 111.107 -179.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 64.7 mtm -109.72 128.57 55.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.473 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.58 42.49 20.64 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.456 0.646 . . . . 0.0 110.961 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.405 ' HB2' ' HB1' ' A' ' 2' ' ' ALA . 57.6 t80 -101.0 90.07 4.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.471 -174.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 124.77 11.22 4.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.596 -0.812 . . . . 0.0 112.407 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.4 m -80.92 56.61 2.8 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.091 0.472 . . . . 0.0 110.633 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -133.63 99.87 4.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.36 -176.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.1 pt -81.82 91.28 2.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.353 0.597 . . . . 0.0 110.595 177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.34 -149.53 11.52 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.53 -0.843 . . . . 0.0 112.421 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.8 73.48 2.28 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.154 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.627 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 124.08 107.82 1.78 Allowed Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.158 179.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.9 pt -109.32 147.59 13.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-O 120.75 0.31 . . . . 0.0 110.689 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.406 ' HB3' HG23 ' A' ' 57' ' ' ILE . 3.1 m-20 -94.24 107.53 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.739 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 58' ' ' ALA . 21.6 m -105.66 123.37 39.6 Favored Pre-proline 0 C--N 1.327 -0.402 0 CA-C-O 121.052 0.454 . . . . 0.0 111.102 -179.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 70.2 Cg_endo -86.02 104.64 0.76 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 122.65 2.234 . . . . 0.0 112.512 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.447 HG12 ' O ' ' A' ' 56' ' ' LYS . 8.7 p -97.02 129.55 32.09 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.392 177.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_exo -48.97 135.94 29.19 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.697 2.265 . . . . 0.0 112.026 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.557 ' HA ' HG13 ' A' ' 22' ' ' VAL . 54.8 mtt180 -67.61 -14.94 63.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.461 -175.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.493 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 47.2 t-80 -89.62 -6.77 55.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.147 0.499 . . . . 0.0 110.028 175.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 24' ' ' VAL . 9.3 m -122.1 10.59 10.08 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.958 -179.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.557 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -61.68 -45.57 98.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.406 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -79.91 -34.4 30.7 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.178 -1.01 . . . . 0.0 111.712 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 21' ' ' SER . 1.8 m -56.13 -37.31 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -82.83 -28.89 8.3 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.508 -178.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.864 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -83.63 -27.99 7.54 Favored 'Isoleucine or valine' 0 C--O 1.232 0.171 0 C-N-CA 120.78 -0.368 . . . . 0.0 111.317 178.436 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.86 -149.16 16.98 Favored Glycine 0 N--CA 1.447 -0.625 0 N-CA-C 111.872 -0.491 . . . . 0.0 111.872 178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HG2' ' OE2' ' A' ' 31' ' ' GLU . 19.8 ptp180 -113.47 -10.16 13.24 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 34.0 t -142.08 11.98 2.0 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.881 -177.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.0 7.57 81.82 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.768 -175.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.551 ' OE2' ' HG2' ' A' ' 28' ' ' ARG . 2.5 pm0 -68.55 -28.5 67.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.425 0.631 . . . . 0.0 109.651 -177.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.405 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 16.0 tpt -78.9 -44.62 22.35 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.554 -177.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.864 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.2 tp -70.17 -28.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.78 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 55.6 mtmt -64.3 -33.84 76.77 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.528 178.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -70.89 -38.46 73.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 176.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.464 HD12 HD12 ' A' ' 33' ' ' ILE . 74.8 mt -63.69 -45.96 95.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.415 178.459 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' HG2' HG13 ' A' ' 44' ' ' ILE . 45.2 mt-30 -62.95 -41.8 99.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.286 176.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -65.76 -52.88 47.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.017 -178.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -58.68 -42.31 88.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.323 -175.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.53 -21.25 27.03 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.884 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.3 39.69 25.9 Favored Glycine 0 N--CA 1.453 -0.2 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.058 -179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -124.51 170.83 14.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-O 120.862 0.363 . . . . 0.0 111.091 -175.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -116.92 112.36 20.92 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 172.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG13 ' HG2' ' A' ' 37' ' ' GLN . 49.6 mt -102.45 126.1 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.777 0.322 . . . . 0.0 110.803 -175.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 tt0 -117.94 117.29 28.85 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.561 177.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.4 ' CE2' HG11 ' A' ' 17' ' ' VAL . 7.7 m-85 -75.78 102.06 5.31 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 171.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -73.63 120.65 19.51 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.57 -175.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -63.36 115.68 4.81 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.197 0.523 . . . . 0.0 109.98 175.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.49 167.33 16.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.209 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -121.94 38.05 4.22 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 85.44 31.3 22.38 Favored Glycine 0 N--CA 1.45 -0.374 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.686 -175.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.3 p -106.69 95.02 5.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.804 0.335 . . . . 0.0 111.094 -176.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.51 153.17 29.8 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.59 176.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' HG2' ' CD ' ' A' ' 55' ' ' GLU . 72.8 Cg_endo -76.34 -17.14 16.92 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.608 2.206 . . . . 0.0 111.855 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' CD ' ' HG2' ' A' ' 54' ' ' PRO . 28.0 mp0 -104.16 -179.78 4.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.131 0.491 . . . . 0.0 110.65 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.447 ' O ' HG12 ' A' ' 17' ' ' VAL . 3.3 tppp? -110.37 112.78 24.95 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.272 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.406 HG23 ' HB3' ' A' ' 14' ' ' ASP . 21.6 mm -72.46 105.68 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-O 121.173 0.511 . . . . 0.0 111.782 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.438 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -95.4 129.89 42.39 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.129 173.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -95.54 100.01 11.81 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 120.738 0.304 . . . . 0.0 110.198 -178.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.62 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.1 mt -84.11 104.09 12.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.627 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 65.9 mtm -104.01 141.1 36.78 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.991 0.424 . . . . 0.0 111.999 -175.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 153.86 -162.87 30.65 Favored Glycine 0 N--CA 1.442 -0.963 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 178.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.531 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.8 Cg_exo -63.5 133.12 38.42 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.347 2.031 . . . . 0.0 110.868 172.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 71.7 Cg_exo -52.64 -33.18 57.82 Favored 'Trans proline' 0 N--CA 1.475 0.399 0 C-N-CA 123.809 3.006 . . . . 0.0 114.721 -170.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -75.71 -29.64 59.01 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.138 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.531 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 94.1 mtt180 -74.25 -32.34 62.93 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 69.8 m -58.04 -42.73 85.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.676 174.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -63.61 -46.23 86.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.522 177.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.522 ' O ' HG13 ' A' ' 73' ' ' ILE . 7.9 t60 -58.94 -44.29 91.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.289 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -64.59 -45.1 88.4 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.287 -0.87 . . . . 0.0 110.955 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.39 96.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.488 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -57.37 -42.02 81.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.648 -0.706 . . . . 0.0 110.324 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 HG13 ' O ' ' A' ' 69' ' ' HIS . 63.5 mt -63.61 -49.24 83.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 -179.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 94.9 mt -69.72 -43.88 79.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 120.853 0.358 . . . . 0.0 110.804 -176.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -62.16 -43.58 98.52 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.666 -179.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -71.69 -30.91 66.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.245 0.545 . . . . 0.0 109.899 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.94 -45.33 86.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.314 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 36.7 mt -58.27 -41.06 83.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 121.73 0.776 . . . . 0.0 109.728 174.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.7 tp60 -67.84 -29.54 68.72 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.746 -1.115 . . . . 0.0 110.819 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 23.5 t -71.92 -21.66 61.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.119 0.485 . . . . 0.0 110.296 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.517 HD11 HG21 ' A' ' 24' ' ' VAL . 22.9 mt -78.14 -31.95 50.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.286 0.565 . . . . 0.0 109.538 176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 83.0 mtt180 -76.45 -42.35 44.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.855 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 34.5 t -159.58 99.2 1.42 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.389 176.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.445 ' HA2' ' HD3' ' A' ' 85' ' ' PRO . . . -76.29 143.12 29.15 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.837 -0.697 . . . . 0.0 111.784 -178.292 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 6.9 Cg_exo -72.75 113.09 3.65 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.825 2.35 . . . . 0.0 111.705 178.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 6.1 Cg_exo -79.03 54.63 5.25 Favored 'Trans proline' 0 N--CA 1.464 -0.233 0 C-N-CA 123.171 2.581 . . . . 0.0 111.529 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 152.3 -157.61 27.36 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.091 -0.803 . . . . 0.0 111.091 -176.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_exo -68.54 115.76 4.07 Favored 'Trans proline' 0 C--O 1.237 0.474 0 C-N-CA 122.899 2.399 . . . . 0.0 112.312 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.94 113.01 2.41 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.789 2.326 . . . . 0.0 111.895 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -175.68 -121.39 0.65 Allowed Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.708 179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.75 -166.33 17.46 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.636 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.59 66.36 7.36 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.938 2.425 . . . . 0.0 112.028 -178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -157.64 82.66 0.15 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 121.068 -0.587 . . . . 0.0 111.89 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 64.6 mtt -104.87 134.53 19.6 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -81.54 113.11 2.54 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.679 2.253 . . . . 0.0 112.972 -177.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -70.92 124.44 10.61 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.914 2.409 . . . . 0.0 111.412 175.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 154.55 -176.24 32.4 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.818 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 125.68 -176.79 17.26 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 111.338 -0.705 . . . . 0.0 111.338 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 -150.29 152.05 33.9 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.063 0.459 . . . . 0.0 110.888 -179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.432 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . 171.77 56.3 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.565 0 N-CA-C 109.621 -1.392 . . . . 0.0 109.621 179.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.432 ' HB2' ' O ' ' A' ' 100' ' ' GLY . 75.3 mtm180 70.75 174.49 0.3 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.391 0.701 . . . . 0.0 109.499 -167.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -171.41 -121.04 0.57 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 120.287 -0.959 . . . . 0.0 112.149 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -145.49 127.73 15.77 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.187 0.518 . . . . 0.0 111.114 -176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -116.76 111.69 2.37 Favored Glycine 0 N--CA 1.447 -0.624 0 CA-C-N 115.861 -0.608 . . . . 0.0 111.831 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 68.3 mt-30 -95.59 107.69 19.89 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.826 0.346 . . . . 0.0 110.283 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.136 -179.854 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.516 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 C3'-C2'-C1' 99.798 -1.892 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.493 ' O6 ' ' HA ' ' A' ' 20' ' ' HIS . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 O4'-C1'-C2' 108.427 1.448 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.715 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.724 0 C4'-C3'-C2' 105.645 2.945 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.715 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 P-O3'-C3' 122.949 2.707 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.612 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.935 1 C4'-C3'-C2' 106.914 4.214 . 0.209 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.815 0 N-CA-C 111.884 -0.487 . . . . 0.0 111.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.6 -73.56 0.66 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.798 0.332 . . . . 0.0 110.401 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 15.7 tpt -111.41 94.91 5.21 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.092 0.472 . . . . 0.0 109.809 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.48 108.54 20.11 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.559 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -107.08 20.99 18.25 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.396 0.617 . . . . 0.0 109.994 176.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -122.1 102.18 0.79 Allowed Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.646 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 23.0 t -89.2 -14.1 36.78 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.795 0.331 . . . . 0.0 110.776 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -73.29 -54.5 8.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.508 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.871 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 28.0 pt -94.25 80.36 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.695 0.759 . . . . 0.0 110.819 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.448 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -93.91 -109.38 2.07 Favored Glycine 0 C--O 1.228 -0.271 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.388 -178.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -95.92 21.85 42.71 Favored Glycine 0 N--CA 1.452 -0.289 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.552 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 149.11 161.34 9.65 Favored Glycine 0 N--CA 1.44 -1.089 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -176.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.528 HG12 ' HB3' ' A' ' 67' ' ' CYS . 31.3 pt -134.11 139.7 47.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.661 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 9.9 p-10 -94.51 123.52 37.98 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.486 0.66 . . . . 0.0 110.76 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 58' ' ' ALA . 18.9 m -109.52 138.04 20.47 Favored Pre-proline 0 C--N 1.321 -0.668 0 CA-C-N 114.714 -1.13 . . . . 0.0 111.633 -172.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -82.64 136.0 8.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.783 2.322 . . . . 0.0 112.429 175.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.9 p -132.73 127.53 20.46 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.696 178.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -50.24 127.62 20.45 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.453 2.102 . . . . 0.0 111.773 177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.781 ' HA ' HG13 ' A' ' 22' ' ' VAL . 82.9 mtp180 -65.44 -16.21 63.4 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.006 0.432 . . . . 0.0 111.095 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -77.71 -0.6 27.47 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.356 175.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.672 ' O ' HG22 ' A' ' 24' ' ' VAL . 17.3 m -142.47 16.25 2.02 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.783 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.781 HG13 ' HA ' ' A' ' 19' ' ' ARG . 1.8 m -61.66 -46.07 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -176.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.71 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.0 -32.11 50.56 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 119.861 -1.162 . . . . 0.0 111.734 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -57.21 -34.51 45.84 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 111.967 0.358 . . . . 0.0 111.967 179.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.462 ' HA ' HD21 ' A' ' 77' ' ' LEU . 5.8 m -82.4 -29.98 9.28 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.638 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -82.9 -30.79 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.154 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.053 177.714 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 113.28 -148.11 18.59 Favored Glycine 0 N--CA 1.445 -0.727 0 C-N-CA 121.239 -0.505 . . . . 0.0 111.974 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.53 ' HD2' ' OP1' ' B' ' 1' ' ' ' A' . 16.5 ptm180 -115.59 -10.87 11.81 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.665 0.745 . . . . 0.0 109.251 177.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.7 t -139.99 -3.05 1.44 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.789 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.639 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 94.49 1.68 64.0 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.63 -0.795 . . . . 0.0 111.503 -175.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.601 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.3 OUTLIER -64.25 -29.16 70.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.341 -179.137 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.45 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.9 tpt -76.06 -39.19 56.01 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.439 -177.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.773 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.2 tt -79.58 -26.71 12.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 120.191 -0.604 . . . . 0.0 110.476 178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' CE ' ' HA ' ' A' ' 31' ' ' GLU . 54.0 mtmt -63.72 -30.36 71.47 Favored 'General case' 0 CA--C 1.52 -0.211 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 172.148 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -72.13 -40.75 67.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.231 176.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.491 HD13 HG12 ' A' ' 74' ' ' ILE . 67.3 mt -60.95 -46.85 95.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.225 0.536 . . . . 0.0 109.932 176.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -63.29 -43.23 98.47 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.812 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -63.27 -50.21 71.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.686 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -64.24 -45.35 88.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.781 -176.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.16 -21.94 27.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.22 0.452 . . . . 0.0 112.22 -175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.77 43.26 11.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.802 -178.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.6 m -126.84 177.82 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.221 0.534 . . . . 0.0 111.905 -173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 26.1 tpt180 -129.78 105.71 8.21 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.244 175.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.569 HG12 HG23 ' A' ' 60' ' ' ILE . 32.7 mt -98.44 131.07 46.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.562 -174.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -139.07 116.53 11.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.136 178.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.709 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 74.7 m-85 -60.29 141.68 55.77 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.645 0.26 . . . . 0.0 110.311 177.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 37.5 mtmt -82.45 70.45 9.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.02 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 13.8 pt20 53.1 125.0 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 125.479 1.511 . . . . 0.0 113.744 179.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -78.57 74.36 5.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.005 -175.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -86.83 -37.02 18.16 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.87 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.45 30.03 14.96 Favored Glycine 0 N--CA 1.451 -0.303 0 CA-C-N 115.738 -0.665 . . . . 0.0 112.698 177.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.75 81.98 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.968 0.413 . . . . 0.0 111.164 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 121.43 -175.56 16.19 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.58 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo -83.16 -10.69 10.08 Favored 'Trans proline' 0 CA--C 1.531 0.335 0 C-N-CA 123.025 2.484 . . . . 0.0 112.619 178.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -113.5 153.4 28.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.486 0.66 . . . . 0.0 111.329 179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.501 ' O ' HG12 ' A' ' 17' ' ' VAL . 1.2 tppp? -110.77 135.6 51.11 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 107.158 -1.423 . . . . 0.0 107.158 170.345 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.567 HG22 ' HB2' ' A' ' 14' ' ' ASP . 25.0 mm -99.61 134.79 37.64 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.962 0 C-N-CA 119.321 -0.952 . . . . 0.0 110.643 -177.017 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.709 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -125.12 113.84 18.24 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.33 -178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.661 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 50.3 t60 -81.55 100.37 9.33 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 -178.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.569 HG23 HG12 ' A' ' 44' ' ' ILE . 33.8 mt -82.78 109.64 16.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.381 177.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.552 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 44.3 mtm -101.49 152.58 20.59 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 133.85 -165.33 24.28 Favored Glycine 0 N--CA 1.443 -0.853 0 N-CA-C 110.586 -1.006 . . . . 0.0 110.586 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.573 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 47.6 Cg_exo -58.59 130.38 36.97 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.198 1.932 . . . . 0.0 110.458 174.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.871 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 72.5 Cg_exo -53.15 -38.68 81.29 Favored 'Trans proline' 0 N--CA 1.475 0.405 0 C-N-CA 123.998 3.132 . . . . 0.0 113.872 -170.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -70.1 -30.83 68.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.621 0.248 . . . . 0.0 110.691 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.573 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.8 mtt180 -69.94 -36.46 75.3 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 173.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.528 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.8 m -66.73 -39.35 87.92 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.368 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 46.6 mt-10 -62.23 -44.4 96.64 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 121.186 0.517 . . . . 0.0 109.953 174.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.447 ' O ' HG13 ' A' ' 73' ' ' ILE . 8.5 t-160 -56.5 -50.1 72.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.962 175.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.496 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -60.76 -41.59 95.74 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.276 -0.874 . . . . 0.0 111.315 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -43.0 88.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.597 176.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -60.37 -41.44 93.75 Favored 'General case' 0 C--O 1.223 -0.325 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.83 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.3 mt -59.24 -41.71 84.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.889 0.376 . . . . 0.0 110.746 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.538 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 80.3 mt -74.96 -46.92 38.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.46 ' HA ' HD12 ' A' ' 78' ' ' LEU . 10.3 m120 -64.3 -46.4 83.76 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.647 -177.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -63.41 -37.19 86.31 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.215 178.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 46.2 tp -58.69 -52.51 65.39 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.397 175.07 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.6 mt -54.93 -47.77 74.0 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.463 0.649 . . . . 0.0 110.473 176.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.1 tp60 -61.71 -38.05 86.44 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.784 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.1 m -69.9 -27.1 64.52 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.842 0.353 . . . . 0.0 110.938 -177.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.3 mt -72.67 -27.72 62.27 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.418 0.628 . . . . 0.0 110.266 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -75.18 -35.37 61.57 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.752 -176.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.2 m -104.77 -77.03 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 92.91 125.78 3.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.661 -0.781 . . . . 0.0 111.693 -176.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.593 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 74.7 Cg_exo -49.22 -52.32 8.99 Favored 'Trans proline' 0 CA--C 1.541 0.868 0 C-N-CA 123.193 2.595 . . . . 0.0 114.078 -178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.593 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 91.8 Cg_endo -90.26 24.37 0.62 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.822 1.681 . . . . 0.0 112.635 179.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.563 ' O ' ' HD3' ' A' ' 89' ' ' PRO . . . -100.26 -105.38 2.71 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.28 179.758 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.442 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 47.6 Cg_endo -98.07 97.34 0.07 OUTLIER 'Trans proline' 0 N--CA 1.45 -1.044 0 C-N-CA 123.697 2.931 . . . . 0.0 112.62 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.563 ' HD3' ' O ' ' A' ' 87' ' ' GLY . 1.1 Cg_endo -84.2 43.87 1.44 Allowed 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 123.121 2.547 . . . . 0.0 111.925 179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.4 -45.74 83.43 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.128 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -156.71 65.71 0.3 Allowed Glycine 0 N--CA 1.446 -0.642 0 C-N-CA 120.872 -0.68 . . . . 0.0 111.965 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.482 ' HG3' ' HA ' ' A' ' 89' ' ' PRO . 2.9 Cg_exo -74.5 105.98 2.16 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.989 2.459 . . . . 0.0 111.398 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -79.86 52.99 4.29 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 121.037 -0.601 . . . . 0.0 112.552 -177.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.479 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 94.6 mmm -80.21 -50.48 1.15 Allowed Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 119.584 -0.246 . . . . 0.0 110.69 178.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HD2' ' N ' ' A' ' 94' ' ' MET . 27.8 Cg_endo -64.89 114.03 2.61 Favored 'Trans proline' 0 C--N 1.357 1.002 0 C-N-CA 121.792 1.661 . . . . 0.0 111.437 173.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -85.0 -1.94 9.5 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 122.814 2.343 . . . . 0.0 113.151 -176.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -94.62 88.13 1.13 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.71 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -125.33 -41.36 0.36 Allowed Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 121.067 -0.587 . . . . 0.0 111.911 178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.422 HH11 ' HD3' ' A' ' 99' ' ' ARG . 72.0 mtm-85 -117.88 146.99 43.52 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.14 0.495 . . . . 0.0 110.746 178.172 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.01 -130.58 1.36 Allowed Glycine 0 N--CA 1.444 -0.81 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 176.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 48.0 ttt180 -149.12 127.3 12.07 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.986 0.393 . . . . 0.0 109.966 175.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -90.59 138.96 14.68 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.262 -176.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.2 ttm180 -87.89 108.84 19.37 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.627 -0.508 . . . . 0.0 109.627 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 105' ' ' GLN . . . 108.92 43.95 1.16 Allowed Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -175.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.412 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 53.5 mt-30 74.51 132.24 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.638 0.775 . . . . 0.0 111.626 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.308 179.744 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.53 ' OP1' ' HD2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.941 0 O4'-C4'-C3' 104.335 -0.832 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.71 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 C3'-C2'-C1' 102.98 1.644 . 0.019 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.697 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.804 0 C4'-C3'-C2' 105.671 2.971 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.697 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.968 0 P-O3'-C3' 122.482 2.318 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.658 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.891 1 C4'-C3'-C2' 106.851 4.151 . 0.251 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.783 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.92 62.01 2.71 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.383 0.611 . . . . 0.0 110.343 -177.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -60.04 128.03 34.8 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.49 -174.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.12 96.21 0.06 Allowed 'General case' 0 N--CA 1.464 0.273 0 O-C-N 123.95 0.782 . . . . 0.0 112.45 175.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.8 m-85 -88.48 12.24 14.92 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.161 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.53 36.83 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.803 -0.713 . . . . 0.0 111.65 -179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 17.1 p -120.1 31.45 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.915 0.388 . . . . 0.0 111.292 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -81.29 103.29 10.96 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.765 -0.457 . . . . 0.0 109.765 178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.578 HG13 ' HB3' ' A' ' 64' ' ' PRO . 27.6 pt -120.14 3.23 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.22 -173.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -76.27 115.58 4.49 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.891 -177.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.8 11.82 54.31 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.291 177.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 110.97 160.49 16.9 Favored Glycine 0 N--CA 1.444 -0.817 0 C-N-CA 120.623 -0.799 . . . . 0.0 111.242 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.516 HG22 ' HA ' ' A' ' 9' ' ' ILE . 33.1 pt -129.59 154.09 39.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.844 0.354 . . . . 0.0 110.856 -177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.4 m-20 -103.35 107.15 17.86 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.476 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 27.7 m -98.66 134.52 21.61 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.197 -176.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 10.0 Cg_endo -88.68 107.52 0.49 Allowed 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.388 2.725 . . . . 0.0 112.111 178.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.4 p -102.77 121.44 49.41 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.25 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_exo -43.47 128.83 6.42 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.72 2.28 . . . . 0.0 111.899 177.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 51.8 mtm180 -64.64 -15.94 62.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.652 -174.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -89.56 6.3 41.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.583 176.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.644 ' O ' HG22 ' A' ' 24' ' ' VAL . 15.2 m -137.05 16.06 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 110.907 178.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.3 m -61.17 -44.72 98.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.531 -177.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.574 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.9 -31.57 39.16 Favored Glycine 0 N--CA 1.444 -0.783 0 C-N-CA 120.239 -0.981 . . . . 0.0 112.114 -178.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.98 -37.39 60.82 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.403 0 N-CA-C 112.259 0.466 . . . . 0.0 112.259 179.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.56 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.4 m -82.67 -29.2 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 120.588 -0.445 . . . . 0.0 111.546 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.879 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.3 pp -81.92 -32.69 11.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.686 -0.406 . . . . 0.0 111.212 178.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.504 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 97.34 154.19 29.64 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 121.186 -0.53 . . . . 0.0 111.986 178.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.627 ' HA ' H5'' ' B' ' 2' ' ' ' G' . 35.3 ptt180 -57.44 -25.85 60.3 Favored 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 -177.602 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.6 m -128.63 16.31 6.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 110.98 -179.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.547 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 73.53 -4.28 28.55 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.917 -0.659 . . . . 0.0 112.773 -177.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -55.24 -30.7 60.58 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.022 0.439 . . . . 0.0 110.98 178.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.423 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.4 tpt -75.67 -49.37 18.57 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.308 -174.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.879 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.5 tt -69.01 -30.28 46.16 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.127 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.543 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -66.59 -26.3 67.03 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 176.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.0 ttpp -75.37 -40.31 58.24 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 32' ' ' MET . 58.8 mt -58.81 -50.32 79.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.071 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.597 ' HG2' HG13 ' A' ' 44' ' ' ILE . 25.7 mt-30 -62.03 -39.07 91.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.901 177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.8 t30 -67.93 -47.93 67.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.332 -178.094 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -67.47 -39.31 85.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.738 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.59 -22.08 23.69 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.44 45.55 18.16 Favored Glycine 0 CA--C 1.519 0.283 0 C-N-CA 121.101 -0.571 . . . . 0.0 112.201 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG21 ' CB ' ' A' ' 70' ' ' ALA . 27.4 m -135.08 172.43 16.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.998 0.428 . . . . 0.0 111.265 -175.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -115.95 121.51 42.5 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.553 171.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.597 HG13 ' HG2' ' A' ' 37' ' ' GLN . 12.9 mt -114.92 120.58 64.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.251 -176.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -127.95 133.62 49.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.782 0.325 . . . . 0.0 110.612 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -75.8 137.69 40.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.468 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.611 ' HD3' HG22 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.52 174.89 6.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.628 -178.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -106.14 39.87 1.71 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.727 -175.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -63.0 111.99 2.4 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.225 -179.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.33 -76.25 0.02 OUTLIER 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -170.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.15 45.44 0.52 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.572 -0.611 . . . . 0.0 111.572 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 5.8 t -75.22 -2.65 28.94 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.082 0.467 . . . . 0.0 110.811 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.38 173.32 41.91 Favored Glycine 0 N--CA 1.445 -0.743 0 N-CA-C 111.577 -0.609 . . . . 0.0 111.577 176.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.64 2.9 6.43 Favored 'Trans proline' 0 C--O 1.236 0.38 0 C-N-CA 122.734 2.289 . . . . 0.0 112.571 177.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -106.0 168.26 9.24 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.533 0.682 . . . . 0.0 110.759 176.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.455 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.7 tppp? -110.96 133.13 53.63 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 174.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.611 HG22 ' HD3' ' A' ' 47' ' ' LYS . 36.7 mm -86.47 128.08 39.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-O 121.525 0.679 . . . . 0.0 111.021 -179.261 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -119.91 127.51 52.76 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 114.755 -1.112 . . . . 0.0 109.272 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -93.53 99.82 12.21 Favored 'General case' 0 C--N 1.316 -0.882 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.118 -175.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.461 HG21 ' HB3' ' A' ' 70' ' ' ALA . 51.9 mt -83.69 110.95 19.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.669 176.307 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 56.1 mtm -107.28 145.67 32.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.013 0.435 . . . . 0.0 111.832 -175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.54 -160.01 27.85 Favored Glycine 0 N--CA 1.439 -1.122 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 178.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.453 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 32.2 Cg_exo -64.09 131.29 30.06 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.067 1.845 . . . . 0.0 110.062 173.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.578 ' HB3' HG13 ' A' ' 9' ' ' ILE . 91.8 Cg_exo -48.9 -36.85 35.27 Favored 'Trans proline' 0 N--CA 1.476 0.454 0 C-N-CA 124.356 3.37 . . . . 0.0 114.43 -174.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -68.13 -40.13 82.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.195 0.522 . . . . 0.0 110.047 177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 77.9 mtt180 -70.86 -27.7 64.03 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.083 178.102 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.422 ' HB3' HG12 ' A' ' 13' ' ' ILE . 76.1 m -63.01 -47.11 84.53 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.095 176.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -71.56 -31.31 66.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 177.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -60.55 -50.21 74.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.452 0.644 . . . . 0.0 109.374 173.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.461 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -62.85 -38.6 91.46 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.465 178.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.09 -42.88 86.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.967 177.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.5 ttt180 -62.42 -42.86 99.76 Favored 'General case' 0 C--O 1.226 -0.181 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.007 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.401 ' HB ' HG23 ' A' ' 36' ' ' ILE . 56.8 mt -58.45 -45.77 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.654 -178.383 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.546 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 76.5 mt -70.4 -41.68 78.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.469 178.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.01 -54.51 46.17 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.551 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.407 ' HA ' ' HB3' ' A' ' 79' ' ' GLN . 24.3 t70 -59.82 -37.54 79.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.017 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 25.6 tp -59.9 -46.26 89.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.537 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 18.3 mt -65.79 -46.21 79.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.771 0.796 . . . . 0.0 109.916 175.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.407 ' HB3' ' HA ' ' A' ' 76' ' ' ASP . 52.3 tt0 -56.15 -38.23 70.59 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.078 -176.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.0 p -78.8 -22.6 46.02 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 -176.654 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.611 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 57.6 mt -84.01 -42.42 16.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.895 0.379 . . . . 0.0 110.7 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 -72.28 -21.64 61.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.392 -173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.4 m -87.01 146.36 26.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.798 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -134.17 -166.55 11.28 Favored Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.331 -0.707 . . . . 0.0 111.331 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.91 117.64 4.72 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.342 2.028 . . . . 0.0 111.802 178.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 75.2 Cg_exo -51.12 126.47 19.04 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 123.032 2.488 . . . . 0.0 112.31 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.73 -126.9 2.57 Favored Glycine 0 N--CA 1.443 -0.872 0 N-CA-C 110.689 -0.964 . . . . 0.0 110.689 -176.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.526 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 37.3 Cg_exo -55.63 -53.94 4.92 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 122.502 2.135 . . . . 0.0 113.572 175.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.526 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 6.1 Cg_endo -88.48 -41.02 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 C-N-CA 122.401 2.068 . . . . 0.0 113.177 -179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -84.61 103.37 2.64 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.4 -176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 124.67 -83.47 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.988 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 38.7 Cg_exo -61.35 113.64 1.87 Allowed 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 123.082 2.521 . . . . 0.0 112.846 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -123.27 145.99 16.29 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 23.0 ptp -156.32 134.13 6.97 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 117.702 0.751 . . . . 0.0 112.057 -175.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 10.1 Cg_endo -91.43 107.24 0.27 Allowed 'Trans proline' 0 N--CA 1.452 -0.93 0 C-N-CA 123.385 2.723 . . . . 0.0 110.433 167.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -68.38 72.75 0.87 Allowed 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.968 2.445 . . . . 0.0 113.031 -175.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -117.85 133.71 10.62 Favored Glycine 0 N--CA 1.444 -0.809 0 CA-C-N 115.637 -0.711 . . . . 0.0 111.627 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.33 -63.13 4.47 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.2 -178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -92.57 134.19 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.703 0.287 . . . . 0.0 110.343 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -104.08 -161.65 24.62 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.654 177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 101' ' ' ARG . 38.5 mtp180 -84.97 -20.6 30.33 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.997 0.427 . . . . 0.0 110.123 -179.056 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -126.11 -144.88 6.25 Favored Glycine 0 N--CA 1.449 -0.492 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.962 179.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -84.51 -27.93 27.06 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.013 0.435 . . . . 0.0 110.055 178.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 130.05 -79.76 0.36 Allowed Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 121.018 -0.61 . . . . 0.0 111.841 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 62.84 79.8 0.25 Allowed 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 122.738 0.415 . . . . 0.0 111.678 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.354 178.499 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.493 " C1'" ' HA ' ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C3'-C2'-C1' 99.847 -1.837 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.627 H5'' ' HA ' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C3'-C2'-C1' 103.018 1.686 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.756 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 105.727 3.027 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.756 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.735 0 P-O3'-C3' 122.575 2.396 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.661 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.959 1 C4'-C3'-C2' 106.899 4.199 . 0.228 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.235 -0.346 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.83 84.96 4.66 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 177.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 92.3 mmm -80.14 74.41 6.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.945 -174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.11 81.38 7.35 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 173.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.9 p90 -82.47 16.83 1.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.224 -173.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -174.4 -135.86 2.13 Favored Glycine 0 N--CA 1.447 -0.61 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.113 -179.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.1 p -61.75 139.85 58.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.95 0.405 . . . . 0.0 111.008 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -84.33 75.52 10.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.546 -176.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 tt -134.15 141.41 43.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.191 178.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 162.29 170.82 27.62 Favored Glycine 0 N--CA 1.448 -0.509 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.54 71.21 2.34 Favored Glycine 0 N--CA 1.453 -0.194 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.117 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.626 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 104.25 98.56 2.52 Favored Glycine 0 N--CA 1.444 -0.799 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 -175.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' HB3' ' A' ' 67' ' ' CYS . 38.0 pt -108.69 146.03 14.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 120.866 0.365 . . . . 0.0 111.553 -171.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.5 ' HB3' ' CG2' ' A' ' 57' ' ' ILE . 14.4 m-20 -94.8 107.88 19.89 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.896 177.018 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.448 HG22 ' O ' ' A' ' 58' ' ' ALA . 21.1 m -101.73 132.06 22.14 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.209 -177.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -83.85 123.4 3.22 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.645 2.23 . . . . 0.0 112.445 178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.41 131.34 24.1 Favored Pre-proline 0 C--N 1.32 -0.705 0 CA-C-N 115.58 -0.737 . . . . 0.0 110.006 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_exo -49.02 128.17 18.78 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.62 2.214 . . . . 0.0 111.709 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.693 ' HA ' HG13 ' A' ' 22' ' ' VAL . 63.7 mtt180 -68.54 -15.45 63.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.788 -175.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -87.37 12.47 11.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.922 0.392 . . . . 0.0 110.908 171.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.627 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -145.32 16.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.987 0.422 . . . . 0.0 111.048 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.693 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -63.74 -44.8 98.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.576 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.516 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -80.27 -33.13 32.98 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.072 -1.061 . . . . 0.0 111.661 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.627 HG22 ' O ' ' A' ' 21' ' ' SER . 1.9 m -56.35 -36.25 46.14 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 N-CA-C 112.148 0.425 . . . . 0.0 112.148 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.0 m -82.8 -28.73 8.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 C-N-CA 120.493 -0.483 . . . . 0.0 111.789 -178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.892 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.1 pp -82.88 -29.12 8.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.328 177.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.21 -150.13 16.74 Favored Glycine 0 N--CA 1.448 -0.547 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -118.47 -14.88 9.67 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.3 t -123.97 -5.44 7.94 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.586 178.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.698 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.4 8.99 70.25 Favored Glycine 0 N--CA 1.444 -0.832 0 N-CA-C 110.624 -0.991 . . . . 0.0 110.624 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -66.75 -28.65 68.58 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.087 -0.557 . . . . 0.0 109.931 -178.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.2 tpt -83.51 -38.72 21.39 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.915 -175.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.892 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -70.87 -33.12 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 C-N-CA 120.627 -0.429 . . . . 0.0 109.976 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -68.14 -25.62 65.37 Favored 'General case' 0 CA--C 1.52 -0.202 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.119 176.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -69.81 -42.47 73.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.684 173.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.563 HD12 HD12 ' A' ' 33' ' ' ILE . 56.6 mt -63.9 -44.87 98.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.067 177.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.627 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.2 mt-30 -61.48 -44.5 96.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.707 176.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -69.81 -47.31 63.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.541 -176.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -58.84 -39.21 80.57 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.766 0.317 . . . . 0.0 111.457 -178.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.72 -21.68 18.6 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 112.421 0.526 . . . . 0.0 112.421 -176.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.02 34.26 27.35 Favored Glycine 0 N--CA 1.453 -0.171 0 C-N-CA 120.948 -0.644 . . . . 0.0 111.837 -178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.0 m -115.16 178.24 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 0.0 111.53 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -127.72 104.22 7.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.566 -0.743 . . . . 0.0 109.024 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.627 HG13 ' HG2' ' A' ' 37' ' ' GLN . 16.0 mt -97.92 127.63 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.091 0.472 . . . . 0.0 110.799 -173.621 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -119.27 108.46 14.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.388 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.35 120.84 16.61 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.649 ' HD3' HG22 ' A' ' 57' ' ' ILE . 55.6 mtpt -88.46 176.38 7.19 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.475 0.655 . . . . 0.0 111.849 -171.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 48' ' ' GLN . 1.8 pt20 -110.1 76.61 1.0 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.112 -0.949 . . . . 0.0 109.511 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -109.26 173.89 6.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.543 -175.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -165.75 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.807 174.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -95.69 57.23 1.61 Allowed Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.497 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.565 HG21 HG12 ' A' ' 57' ' ' ILE . 11.2 t -153.01 32.38 0.48 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.61 0.719 . . . . 0.0 110.285 178.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 98.05 -167.25 22.7 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.66 -0.7 . . . . 0.0 112.724 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.579 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 43.4 Cg_endo -85.26 7.23 5.24 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 123.288 2.659 . . . . 0.0 112.608 -179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.579 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 10.0 mp0 -103.82 172.6 6.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.147 0.498 . . . . 0.0 110.67 -177.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -110.45 142.46 42.16 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 175.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.649 HG22 ' HD3' ' A' ' 47' ' ' LYS . 30.3 mm -96.35 125.87 49.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.99 0.9 . . . . 0.0 111.274 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.448 ' O ' HG22 ' A' ' 15' ' ' VAL . . . -112.66 118.03 33.91 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.405 -1.271 . . . . 0.0 109.286 177.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.477 ' HB2' ' HD2' ' A' ' 47' ' ' LYS . 5.4 t-160 -87.98 99.05 11.86 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 120.993 0.425 . . . . 0.0 110.138 -177.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 46.7 mt -83.54 103.55 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 176.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.626 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.43 149.3 24.2 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.52 -174.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 135.86 -160.91 24.73 Favored Glycine 0 N--CA 1.438 -1.203 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.466 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 34.9 Cg_exo -61.3 133.57 47.19 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.418 2.079 . . . . 0.0 110.872 175.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 58.2 Cg_exo -56.56 -33.24 92.42 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.863 3.042 . . . . 0.0 112.999 -174.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.28 -41.2 90.18 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.115 177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 91.9 mtt180 -70.26 -32.94 70.98 Favored 'General case' 0 CA--C 1.516 -0.327 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.797 177.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.405 ' HB3' HG12 ' A' ' 13' ' ' ILE . 79.5 m -59.41 -40.11 85.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.535 177.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -72.56 -38.05 68.04 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.157 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.554 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.2 t60 -58.04 -49.13 77.93 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.47 0.652 . . . . 0.0 109.362 174.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -65.83 -39.27 90.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.144 -0.935 . . . . 0.0 111.283 179.488 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.45 -43.14 79.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.5 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.2 mtp85 -65.89 -33.56 76.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.526 179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.554 HG13 ' O ' ' A' ' 69' ' ' HIS . 62.3 mt -64.41 -49.96 78.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.659 -0.246 . . . . 0.0 110.98 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.594 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 98.7 mt -66.37 -44.54 90.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.315 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -61.94 -47.15 86.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.639 -179.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -68.06 -34.96 77.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.867 0.365 . . . . 0.0 110.375 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.15 -47.27 85.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.635 176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 54.5 mt -55.95 -49.54 73.24 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.501 0.667 . . . . 0.0 109.86 175.02 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -61.85 -29.75 70.39 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.61 -177.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.9 m -69.59 -16.9 63.49 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.063 0.459 . . . . 0.0 110.721 179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 24.4 mt -97.45 -11.12 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.171 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 78' ' ' LEU . 22.3 mmt180 -86.61 44.4 1.15 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.587 -172.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.1 m -63.74 113.6 3.49 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 173.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.9 173.21 22.26 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.081 -1.057 . . . . 0.0 113.283 -173.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.4 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 4.6 Cg_exo -77.08 133.52 13.65 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 123.216 2.611 . . . . 0.0 111.725 178.392 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 84.6 Cg_endo -86.65 151.37 8.8 Favored 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 122.628 2.219 . . . . 0.0 112.629 -179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.492 ' N ' ' HD3' ' A' ' 88' ' ' PRO . . . -148.09 56.71 0.49 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.017 174.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.492 ' HD3' ' N ' ' A' ' 87' ' ' GLY . 1.7 Cg_endo -84.96 124.86 3.03 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 122.972 2.448 . . . . 0.0 112.353 -175.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -83.22 142.47 10.81 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 122.569 2.179 . . . . 0.0 111.896 175.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 107.86 -150.36 16.89 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.472 -0.871 . . . . 0.0 112.305 177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.19 -123.45 0.8 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -67.93 127.9 16.87 Favored 'Trans proline' 0 C--O 1.233 0.254 0 C-N-CA 122.589 2.193 . . . . 0.0 111.761 177.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -137.71 138.7 9.84 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.368 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.3 mmt -130.3 80.07 71.31 Favored Pre-proline 0 C--N 1.327 -0.413 0 CA-C-O 120.732 0.301 . . . . 0.0 110.256 178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.455 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 61.5 Cg_endo -74.86 131.82 14.91 Favored 'Trans proline' 0 CA--C 1.531 0.329 0 C-N-CA 122.535 2.156 . . . . 0.0 112.431 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 30.3 Cg_exo -61.35 128.79 26.02 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.774 2.316 . . . . 0.0 111.563 178.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 86.9 -51.32 4.29 Favored Glycine 0 N--CA 1.449 -0.463 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 -177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.68 -125.66 13.73 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 120.975 -0.631 . . . . 0.0 111.876 179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 42.7 mmm-85 -116.93 13.75 14.97 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.867 0.365 . . . . 0.0 110.709 179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -122.37 124.79 5.83 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.342 -0.932 . . . . 0.0 112.845 -175.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -85.38 108.18 17.72 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 176.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 82.18 72.96 1.23 Allowed Glycine 0 N--CA 1.443 -0.842 0 C-N-CA 120.351 -0.928 . . . . 0.0 111.535 -178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 25.0 ttm-85 -78.74 -22.39 46.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.297 0.57 . . . . 0.0 109.771 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.98 114.57 4.23 Favored Glycine 0 N--CA 1.445 -0.722 0 C-N-CA 120.734 -0.746 . . . . 0.0 111.392 175.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 67.71 19.86 9.62 Favored 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 122.924 0.49 . . . . 0.0 111.125 -178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.557 -0.83 . . . . 0.0 112.404 -178.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.502 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.904 0 C3'-C2'-C1' 99.948 -1.724 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.516 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C3'-C2'-C1' 103.428 2.142 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.749 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C4'-C3'-C2' 105.639 2.939 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.749 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 P-O3'-C3' 122.687 2.489 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.594 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.958 1 C4'-C3'-C2' 106.975 4.275 . 0.035 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.623 0 N-CA-C 112.061 -0.415 . . . . 0.0 112.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.24 44.58 1.03 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.2 0.524 . . . . 0.0 111.013 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 27.1 ttt -156.02 82.57 1.0 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 -179.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 67.85 175.42 0.26 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.544 -173.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 57.51 54.34 6.59 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.115 0.483 . . . . 0.0 110.994 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -68.18 148.45 48.91 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.664 179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 50.1 m -73.52 -44.31 57.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.594 0.235 . . . . 0.0 110.629 -177.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.426 ' HD2' ' HA ' ' A' ' 8' ' ' ARG . 10.9 tpt180 -103.71 100.54 10.36 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.025 0.441 . . . . 0.0 110.179 177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.658 HD12 ' HB3' ' A' ' 64' ' ' PRO . 9.1 pt -121.45 -9.58 9.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.207 -177.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.79 116.15 7.54 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.663 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 88.78 10.0 67.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.415 178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 108.13 166.71 21.34 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.018 -178.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -125.11 162.2 27.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.709 0.29 . . . . 0.0 110.808 -178.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.3 m-20 -109.2 113.44 26.29 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 178.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.473 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 26.6 m -106.14 124.02 37.2 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-O 121.141 0.496 . . . . 0.0 111.988 -175.092 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.473 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 6.5 Cg_exo -76.17 119.52 5.35 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 123.126 2.551 . . . . 0.0 111.781 173.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 HG11 ' HE2' ' A' ' 46' ' ' PHE . 7.1 p -127.61 128.23 23.97 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.236 -177.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 8.7 Cg_endo -49.68 124.7 12.74 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.664 2.243 . . . . 0.0 111.965 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.49 ' O ' HG22 ' A' ' 22' ' ' VAL . 54.4 mtp180 -63.41 -16.27 60.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.971 -175.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -81.36 -28.86 34.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.956 0.408 . . . . 0.0 110.795 174.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.641 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -106.08 18.45 22.04 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.189 -0.32 . . . . 0.0 111.585 -176.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.49 HG22 ' O ' ' A' ' 19' ' ' ARG . 3.6 m -68.61 -44.05 82.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.499 -0.48 . . . . 0.0 111.051 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.525 ' HA2' ' CG1' ' A' ' 26' ' ' ILE . . . -71.7 -38.92 60.91 Favored Glycine 0 N--CA 1.442 -0.901 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.034 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.641 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -58.16 -36.09 55.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.632 0 N-CA-C 112.192 0.441 . . . . 0.0 112.192 178.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.477 HG13 ' O ' ' A' ' 21' ' ' SER . 15.7 m -83.21 -27.69 7.82 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 O-C-N 122.051 -0.406 . . . . 0.0 111.632 -179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.784 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -82.63 -25.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.628 177.59 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.03 -165.72 12.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 121.137 -0.554 . . . . 0.0 112.347 174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.551 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 16.2 ptt180 -90.03 -5.75 56.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.306 0.574 . . . . 0.0 109.869 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.6 t -156.8 20.05 0.32 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.636 -175.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.518 ' HA3' " C1'" ' B' ' 4' ' ' ' G' . . . 74.13 -5.45 26.47 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.607 -0.806 . . . . 0.0 113.012 -178.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.635 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 47.0 mt-10 -62.47 -33.75 75.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.866 0.365 . . . . 0.0 111.054 -179.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 36' ' ' ILE . 17.1 tpt -68.04 -40.77 82.78 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.947 -177.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.784 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 17.7 tt -76.13 -24.92 16.56 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 C-N-CA 119.874 -0.73 . . . . 0.0 110.333 177.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.635 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 53.7 mtmt -67.71 -28.19 67.45 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 172.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -72.83 -39.92 66.17 Favored 'General case' 0 C--O 1.218 -0.593 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.864 173.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.45 HD13 HG12 ' A' ' 74' ' ' ILE . 68.0 mt -60.25 -45.21 96.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 121.213 0.53 . . . . 0.0 109.924 175.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -66.79 -28.8 68.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.238 177.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.57 -44.81 20.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.161 0.505 . . . . 0.0 110.491 -177.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -66.89 -30.04 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.472 -177.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.8 -22.69 12.63 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 74.92 48.65 11.27 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.362 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -128.0 174.71 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.05 0.453 . . . . 0.0 111.756 -175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 43' ' ' ARG . 62.8 mmt-85 -120.21 103.91 9.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.893 174.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 60' ' ' ILE . 39.5 mt -100.9 126.84 54.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.034 -177.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -138.39 129.32 26.85 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.66 0.267 . . . . 0.0 110.508 176.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.412 ' HE2' HG11 ' A' ' 17' ' ' VAL . 97.3 m-85 -75.01 130.36 39.22 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.125 178.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -85.88 67.81 10.14 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.858 0.361 . . . . 0.0 111.033 -178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 66.24 179.63 0.21 Allowed 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.306 177.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -136.13 103.07 5.21 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.413 172.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -61.32 -52.91 62.71 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.504 -178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 134.24 -35.65 2.2 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.259 -0.737 . . . . 0.0 111.259 -176.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 63.7 p -95.09 163.52 13.26 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.623 -0.288 . . . . 0.0 110.277 176.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 94.06 148.92 24.63 Favored Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.165 178.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -86.28 -25.8 1.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.496 0 C-N-CA 122.812 2.341 . . . . 0.0 112.081 177.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -115.82 157.91 23.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.145 -176.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.426 ' CE ' HG11 ' A' ' 22' ' ' VAL . 3.5 tppt? -111.0 143.39 41.76 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.301 -1.318 . . . . 0.0 108.161 176.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.483 HG23 ' HB3' ' A' ' 14' ' ' ASP . 22.3 mm -91.98 119.28 39.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-O 121.637 0.732 . . . . 0.0 110.391 175.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -113.05 121.71 45.42 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.378 178.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -88.86 98.03 11.5 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.505 HG12 HG12 ' A' ' 44' ' ' ILE . 49.9 mt -83.91 104.31 12.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.462 176.313 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.496 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 59.5 mtm -100.77 146.91 26.66 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.523 -175.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 145.87 -165.93 27.98 Favored Glycine 0 N--CA 1.439 -1.133 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 37.5 Cg_exo -62.79 130.35 29.19 Favored 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.083 1.855 . . . . 0.0 110.351 175.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' HB3' HD12 ' A' ' 9' ' ' ILE . 43.4 Cg_exo -44.72 -51.06 7.7 Favored 'Trans proline' 0 CA--C 1.529 0.247 0 C-N-CA 123.872 3.048 . . . . 0.0 114.398 -171.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -59.47 -30.87 68.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.879 0.371 . . . . 0.0 111.457 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.432 ' HD2' ' HG2' ' A' ' 63' ' ' PRO . 95.8 mtt180 -76.93 -35.54 57.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.468 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 14.4 p -70.71 -33.54 70.97 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 179.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.587 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 31.3 mt-10 -65.75 -46.18 79.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.736 173.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.435 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.2 t-160 -54.48 -48.69 71.52 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.432 -0.804 . . . . 0.0 109.793 175.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.35 -46.07 91.77 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.543 -179.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.67 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.188 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -59.39 -42.91 92.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.113 178.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 69' ' ' HIS . 69.7 mt -57.21 -48.63 81.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.675 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.558 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 78.3 mt -68.82 -44.84 81.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 -178.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.3 -47.46 85.84 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.601 -179.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -69.98 -30.05 67.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.119 0.485 . . . . 0.0 110.691 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 42.9 tp -61.5 -52.38 64.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.91 175.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 22.4 mt -55.39 -44.85 76.52 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.243 0.545 . . . . 0.0 110.261 176.048 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 19.7 tp60 -59.46 -32.09 69.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.838 -1.074 . . . . 0.0 111.574 -178.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.9 m -79.73 -43.06 23.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.834 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.685 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.4 mt -63.19 -67.45 0.42 Allowed 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.927 -177.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 61.07 75.07 0.43 Allowed 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.56 -175.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.6 m -64.34 104.65 0.79 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.418 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 85' ' ' PRO . . . -168.44 -59.24 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 CA-C-N 115.972 -0.558 . . . . 0.0 112.376 -178.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 84' ' ' GLY . 18.6 Cg_endo -59.55 154.03 50.96 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.882 2.388 . . . . 0.0 112.375 176.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_endo -68.41 85.34 0.45 Allowed 'Trans proline' 0 CA--C 1.531 0.354 0 C-N-CA 123.003 2.469 . . . . 0.0 112.537 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 95.33 -131.92 10.89 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.993 -0.622 . . . . 0.0 111.782 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.521 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 44.1 Cg_endo -69.98 143.42 49.74 Favored 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.359 2.039 . . . . 0.0 112.183 179.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.521 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.2 Cg_exo -71.47 -1.2 9.37 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 123.249 2.633 . . . . 0.0 112.77 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -86.47 147.69 21.57 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.918 178.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -133.01 150.14 19.73 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.215 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -60.02 -58.61 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 123.055 2.503 . . . . 0.0 112.035 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -101.18 59.75 0.63 Allowed Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 176.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 27.3 ttt -78.85 119.61 77.89 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-O 120.747 0.308 . . . . 0.0 111.275 -174.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 69.9 Cg_endo -76.81 143.68 23.79 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.393 2.062 . . . . 0.0 110.913 173.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -59.16 110.57 0.71 Allowed 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 122.831 2.354 . . . . 0.0 111.956 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -88.86 155.45 25.55 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.71 77.2 1.48 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.142 -0.551 . . . . 0.0 111.832 178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -76.93 78.55 3.49 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.235 0.54 . . . . 0.0 111.052 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -94.73 136.71 13.1 Favored Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.828 -0.623 . . . . 0.0 112.224 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -106.48 124.92 50.33 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.166 -0.309 . . . . 0.0 110.166 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.08 61.86 0.85 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.041 178.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -83.03 69.66 9.88 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.017 0.436 . . . . 0.0 110.723 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -103.49 -42.81 1.95 Allowed Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.896 -0.669 . . . . 0.0 111.634 176.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 54.39 48.03 21.55 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.181 0.515 . . . . 0.0 111.187 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 C-N-CA 120.833 -0.698 . . . . 0.0 111.671 -179.328 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.551 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 C3'-C2'-C1' 100.223 -1.419 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 C3'-C2'-C1' 104.384 3.204 . 0.01 1[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.849 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C1'-O4'-C4' 106.865 -3.039 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.849 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.43 -0.614 0 P-O3'-C3' 122.683 2.486 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.623 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.964 1 C4'-C3'-C2' 106.967 4.267 . 0.08 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.997 0 N-CA-C 112.218 -0.353 . . . . 0.0 112.218 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.8 -32.88 13.09 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.725 -0.28 . . . . 0.0 111.416 -179.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 48.6 ttm -107.65 -56.39 2.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.109 0.48 . . . . 0.0 110.544 -179.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -92.03 63.54 4.44 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.967 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -107.46 133.04 52.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.066 0.46 . . . . 0.0 110.249 178.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 178.64 44.12 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.3 m -90.33 61.09 4.93 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.307 0.575 . . . . 0.0 110.48 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -89.6 167.39 12.97 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.808 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 13.4 pt -130.36 93.86 2.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.425 0.631 . . . . 0.0 111.224 -178.621 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.625 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -106.49 -118.32 4.38 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 120.79 -0.719 . . . . 0.0 111.537 178.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -91.41 20.55 40.31 Favored Glycine 0 N--CA 1.451 -0.328 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.463 ' HA2' ' SG ' ' A' ' 67' ' ' CYS . . . 155.75 165.12 13.96 Favored Glycine 0 N--CA 1.44 -1.042 0 N-CA-C 110.242 -1.143 . . . . 0.0 110.242 -176.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.494 HG12 ' HB3' ' A' ' 67' ' ' CYS . 26.8 pt -130.26 144.89 36.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 117.049 0.424 . . . . 0.0 110.235 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.504 ' HB3' HG23 ' A' ' 57' ' ' ILE . 17.1 m-20 -96.23 107.2 19.51 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 109.951 -0.388 . . . . 0.0 109.951 178.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.619 HG23 ' HB3' ' A' ' 58' ' ' ALA . 24.6 m -100.0 126.62 36.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -177.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -83.0 120.15 2.95 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 122.493 2.129 . . . . 0.0 112.485 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 11.2 p -117.76 124.85 28.48 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.04 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_exo -49.17 130.43 24.29 Favored 'Trans proline' 0 C--O 1.232 0.223 0 C-N-CA 122.523 2.149 . . . . 0.0 111.889 178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.75 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.8 mtm180 -62.62 -15.8 53.53 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.961 0.41 . . . . 0.0 111.666 -176.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 t-160 -78.7 -8.62 58.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.474 177.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.634 ' O ' HG22 ' A' ' 24' ' ' VAL . 5.7 m -130.36 19.57 5.29 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 120.81 0.338 . . . . 0.0 111.468 -179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.75 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.5 m -65.22 -47.95 85.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 O-C-N 122.108 -0.37 . . . . 0.0 111.753 -178.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.492 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -75.23 -38.11 40.41 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.335 -0.936 . . . . 0.0 111.596 -179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 21' ' ' SER . 2.4 m -54.99 -36.44 38.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 N-CA-C 112.615 0.598 . . . . 0.0 112.615 -179.205 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.419 ' HA ' HD21 ' A' ' 77' ' ' LEU . 16.0 m -82.91 -30.16 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 C-N-CA 120.369 -0.532 . . . . 0.0 112.102 -178.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.842 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.7 pp -81.69 -28.34 10.03 Favored 'Isoleucine or valine' 0 C--O 1.233 0.202 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.147 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.489 ' HA3' ' OE2' ' A' ' 31' ' ' GLU . . . 108.62 -149.35 16.94 Favored Glycine 0 N--CA 1.446 -0.648 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.907 178.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -121.7 -14.9 8.06 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.58 0.705 . . . . 0.0 109.822 177.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 28.0 t -128.8 6.99 5.59 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.301 -0.863 . . . . 0.0 109.255 175.318 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.645 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.4 7.5 85.17 Favored Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.484 -175.474 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' OE2' ' HA3' ' A' ' 27' ' ' GLY . 0.0 OUTLIER -64.49 -31.16 72.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.258 0.551 . . . . 0.0 109.966 -179.553 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 15.1 tpt -76.48 -45.51 30.84 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.09 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.842 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -67.85 -30.52 48.65 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-O 120.823 0.345 . . . . 0.0 110.657 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.8 mtmt -69.78 -27.62 65.07 Favored 'General case' 0 C--O 1.224 -0.285 0 C-N-CA 120.984 -0.286 . . . . 0.0 110.509 178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -69.98 -37.61 75.79 Favored 'General case' 0 C--O 1.224 -0.262 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.716 HD12 HD12 ' A' ' 33' ' ' ILE . 54.8 mt -64.12 -45.53 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.883 176.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.63 ' HG2' HG13 ' A' ' 44' ' ' ILE . 26.9 mt-30 -63.75 -41.38 98.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.863 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -69.49 -49.94 49.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.559 -176.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -64.79 -30.51 71.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.754 0.311 . . . . 0.0 111.642 -176.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.594 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.89 -22.24 15.9 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.359 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.83 44.88 11.36 Favored Glycine 0 CA--C 1.516 0.132 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.247 -178.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 31.7 m -129.93 173.46 14.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.208 0.528 . . . . 0.0 112.006 -173.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 22.4 tpp180 -120.24 109.39 15.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.089 174.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.63 HG13 ' HG2' ' A' ' 37' ' ' GLN . 14.6 mt -100.85 124.1 54.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.872 0.368 . . . . 0.0 110.938 -174.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -118.28 114.85 23.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.672 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -78.29 106.52 10.25 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.709 0.29 . . . . 0.0 110.369 176.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.461 ' HD3' HG22 ' A' ' 57' ' ' ILE . 26.3 mtpp -74.39 116.93 15.62 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.446 ' HA ' ' OE1' ' A' ' 48' ' ' GLN . 6.4 tp60 -70.8 127.73 33.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.128 -174.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -87.12 149.15 24.88 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.706 -178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -108.42 34.17 3.78 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.421 174.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.47 17.43 55.06 Favored Glycine 0 N--CA 1.449 -0.44 0 N-CA-C 110.011 -1.236 . . . . 0.0 110.011 -169.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -68.96 -18.41 64.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.493 -0.853 . . . . 0.0 111.984 -172.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 177.55 168.99 38.05 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.812 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 81.2 Cg_endo -76.04 -13.14 19.42 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 122.777 2.318 . . . . 0.0 111.815 179.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 22.7 mp0 -108.38 163.18 13.43 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.297 176.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 10.4 tppt? -109.19 127.37 54.17 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 174.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 HG23 ' HB3' ' A' ' 14' ' ' ASP . 17.8 mm -83.63 116.13 27.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-O 121.824 0.821 . . . . 0.0 110.524 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.619 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -102.78 105.51 15.95 Favored 'General case' 0 C--N 1.308 -1.223 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.258 179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -80.89 97.63 7.5 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 -177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 70' ' ' ALA . 43.5 mt -83.54 103.51 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 176.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 57.6 mtm -102.19 145.64 29.1 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.988 0.423 . . . . 0.0 111.87 -174.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 146.12 -155.77 26.67 Favored Glycine 0 N--CA 1.442 -0.923 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 178.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.527 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 17.9 Cg_exo -66.96 136.18 40.35 Favored 'Trans proline' 0 N--CA 1.459 -0.522 0 C-N-CA 121.961 1.774 . . . . 0.0 109.976 173.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.625 ' HG3' ' O ' ' A' ' 10' ' ' GLY . 51.4 Cg_exo -56.52 -37.71 96.84 Favored 'Trans proline' 0 N--CA 1.473 0.292 0 C-N-CA 123.857 3.038 . . . . 0.0 113.728 -169.37 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -69.63 -36.92 76.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.204 0.526 . . . . 0.0 110.201 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 5.4 mmp_? -63.71 -46.34 85.86 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.753 178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.494 ' HB3' HG12 ' A' ' 13' ' ' ILE . 57.9 m -54.94 -42.04 71.82 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 114.765 -1.107 . . . . 0.0 111.042 176.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.561 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 44.2 mt-10 -63.63 -45.62 89.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.99 0.424 . . . . 0.0 110.728 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.3 t60 -57.66 -47.04 83.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.072 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.434 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -59.31 -43.04 92.67 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.999 -1.001 . . . . 0.0 111.45 -179.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.13 80.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.915 178.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.11 -35.26 80.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.253 -178.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.562 ' HB ' HG23 ' A' ' 36' ' ' ILE . 48.1 mt -63.93 -45.4 97.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.862 0.363 . . . . 0.0 110.531 178.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.473 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.2 mt -68.59 -41.42 82.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.177 178.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.24 -51.05 71.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -59.8 -40.73 89.32 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.021 0.439 . . . . 0.0 110.391 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.702 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 26.5 tp -59.46 -54.27 48.53 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.353 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 57.2 mt -52.85 -47.35 67.82 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.363 0.601 . . . . 0.0 110.783 176.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 59.0 tp60 -61.96 -31.33 71.66 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.603 -176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 18.5 m -82.62 -27.83 31.17 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.003 -179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.702 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 29.2 mt -80.63 -67.22 0.79 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.209 0.528 . . . . 0.0 110.908 -178.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 67.5 mtp180 64.21 5.07 2.34 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.798 -1.092 . . . . 0.0 111.546 -170.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.0 t 52.02 42.98 30.72 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.152 -179.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.12 -126.15 5.62 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.31 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.48 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 40.5 Cg_endo -68.61 128.56 17.3 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.664 2.243 . . . . 0.0 112.107 178.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.48 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 28.0 Cg_exo -61.77 107.76 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.701 2.267 . . . . 0.0 111.87 179.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -108.17 164.34 12.8 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.191 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 90.6 Cg_endo -81.1 156.72 20.06 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.924 2.416 . . . . 0.0 112.101 -178.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 3.1 Cg_exo -75.58 54.56 3.96 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 123.098 2.532 . . . . 0.0 111.986 177.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -125.51 -120.92 2.48 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.782 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.457 ' HA3' ' HD3' ' A' ' 92' ' ' PRO . . . 169.25 -118.07 0.75 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.378 -0.915 . . . . 0.0 112.67 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD3' ' HA3' ' A' ' 91' ' ' GLY . 8.3 Cg_exo -71.94 76.81 2.0 Allowed 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 123.24 2.627 . . . . 0.0 112.398 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -124.14 -156.55 9.5 Favored Glycine 0 N--CA 1.446 -0.677 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.746 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.1 mpp? 55.22 67.47 3.11 Favored Pre-proline 0 N--CA 1.464 0.249 0 C-N-CA 122.839 0.455 . . . . 0.0 111.204 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 65.7 Cg_endo -74.78 117.98 5.13 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.606 2.204 . . . . 0.0 112.394 -178.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.453 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 72.5 Cg_endo -80.13 87.18 1.55 Allowed 'Trans proline' 0 N--CA 1.459 -0.514 0 C-N-CA 122.802 2.335 . . . . 0.0 112.255 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -96.88 -16.93 34.27 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.824 -0.703 . . . . 0.0 111.971 179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -87.24 -108.93 0.9 Allowed Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.218 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 57.3 ttt180 -93.27 51.08 1.58 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.741 0.781 . . . . 0.0 109.858 -178.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.453 ' HA3' ' HB2' ' A' ' 96' ' ' PRO . . . -132.88 28.54 3.35 Favored Glycine 0 N--CA 1.45 -0.418 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 176.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -164.05 125.72 2.32 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 -175.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -102.32 -151.85 24.04 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.638 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 -89.61 123.71 33.92 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.842 0.353 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -110.58 -141.3 8.78 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 110.541 -1.024 . . . . 0.0 110.541 173.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -109.53 4.79 22.6 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.318 0.58 . . . . 0.0 109.999 173.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.584 0 CA-C-N 115.373 -0.83 . . . . 0.0 111.72 177.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.516 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 99.412 -2.321 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.536 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 C3'-C2'-C1' 104.285 3.095 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.868 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C4'-C3'-C2' 105.724 3.024 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.868 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 P-O3'-C3' 122.704 2.503 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.71 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.874 1 C4'-C3'-C2' 107.055 4.355 . 0.224 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.749 0 N-CA-C 111.637 -0.585 . . . . 0.0 111.637 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.11 117.05 33.05 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.589 0.233 . . . . 0.0 110.936 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.0 mmm 57.46 43.55 22.79 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.487 177.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.39 -46.9 3.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.303 178.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 47.25 59.84 3.82 Favored 'General case' 0 N--CA 1.465 0.282 0 O-C-N 123.761 0.663 . . . . 0.0 111.268 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 128.5 -130.12 6.45 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 120.623 -0.798 . . . . 0.0 111.678 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 20.9 t 60.43 50.07 6.3 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.499 0.666 . . . . 0.0 109.354 -177.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.617 ' HA ' ' HG2' ' A' ' 64' ' ' PRO . 45.7 ttp180 -152.49 82.37 1.24 Allowed 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 115.64 -0.709 . . . . 0.0 111.29 -175.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.61 ' H ' ' HB3' ' A' ' 64' ' ' PRO . 47.6 mm -98.76 -25.88 3.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 171.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.425 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . 157.66 -167.01 34.05 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 115.142 -0.935 . . . . 0.0 111.289 179.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.86 0.62 56.45 Favored Glycine 0 N--CA 1.454 -0.127 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 177.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.481 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 170.65 135.15 1.87 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' ' 67' ' ' CYS . 44.4 pt -113.37 161.28 12.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.4 m-20 -102.4 122.09 43.61 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.061 177.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.9 m -115.82 133.12 22.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -85.79 117.75 1.72 Allowed 'Trans proline' 0 N--CA 1.454 -0.831 0 C-N-CA 122.595 2.196 . . . . 0.0 112.884 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.42 HG23 HD21 ' A' ' 78' ' ' LEU . 11.8 p -110.85 116.63 51.75 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.11 174.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_exo -44.09 130.47 8.31 Favored 'Trans proline' 0 N--CA 1.463 -0.28 0 C-N-CA 122.709 2.272 . . . . 0.0 112.234 176.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.73 ' HA ' HG13 ' A' ' 22' ' ' VAL . 25.3 mtm180 -64.96 -16.52 63.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.643 -174.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -79.33 -7.78 58.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.826 0.346 . . . . 0.0 110.66 176.247 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.566 ' O ' HG22 ' A' ' 24' ' ' VAL . 19.0 m -132.49 19.92 4.32 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.806 0.336 . . . . 0.0 111.428 -176.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.73 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.0 m -61.03 -45.71 98.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 111.929 0.344 . . . . 0.0 111.929 -178.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -77.89 -31.97 46.8 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.205 -0.998 . . . . 0.0 112.063 -179.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.58 -35.81 61.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 111.888 0.329 . . . . 0.0 111.888 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.586 HG12 HD23 ' A' ' 77' ' ' LEU . 12.3 m -82.66 -29.69 8.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.571 -176.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.872 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -80.78 -30.75 12.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.262 177.296 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.52 178.43 20.21 Favored Glycine 0 N--CA 1.442 -0.946 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.634 174.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.611 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 10.3 ptm180 -70.65 -21.83 62.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.446 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.2 t -147.79 13.63 1.04 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.055 -177.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.584 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 88.7 -8.31 79.67 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.568 -0.825 . . . . 0.0 112.547 179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -23.99 67.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.055 0.455 . . . . 0.0 110.823 178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -73.89 -47.83 35.22 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.826 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.872 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -71.83 -25.46 24.21 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.116 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.244 178.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 52.4 mtmt -68.7 -24.56 64.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 173.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -76.25 -37.24 57.89 Favored 'General case' 0 C--O 1.219 -0.545 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 171.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.518 HD13 HG12 ' A' ' 74' ' ' ILE . 57.9 mt -61.76 -44.08 98.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 121.095 0.474 . . . . 0.0 109.815 176.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -68.14 -33.55 74.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.428 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -77.39 -57.21 3.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.604 -177.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -58.44 -35.6 72.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.509 -0.768 . . . . 0.0 111.289 -176.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.565 ' O ' ' HB3' ' A' ' 66' ' ' ARG . . . -94.12 -23.29 18.01 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.62 -0.432 . . . . 0.0 112.006 -178.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.99 47.38 19.2 Favored Glycine 0 N--CA 1.453 -0.224 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.375 -177.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.1 m -128.8 179.7 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.03 0.443 . . . . 0.0 111.156 -177.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -130.85 110.72 11.51 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.378 175.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 60' ' ' ILE . 40.6 mt -108.75 133.93 52.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.059 -172.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -136.09 130.82 33.98 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.145 172.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.95 129.67 38.35 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.317 -179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.4 mtpt -92.84 164.82 13.19 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.002 176.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 20.1 pt20 -89.78 137.65 32.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.213 0.53 . . . . 0.0 111.236 -175.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -106.64 122.65 46.77 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.31 -0.859 . . . . 0.0 110.101 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -119.33 36.83 4.34 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.187 0.517 . . . . 0.0 109.843 179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 105.21 38.66 2.42 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.59 -0.732 . . . . 0.0 112.429 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 52.9 p -87.08 -19.98 27.79 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.425 0.631 . . . . 0.0 110.466 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 168.62 -157.22 29.22 Favored Glycine 0 N--CA 1.446 -0.69 0 N-CA-C 110.824 -0.91 . . . . 0.0 110.824 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -89.96 1.21 5.51 Favored 'Trans proline' 0 N--CA 1.456 -0.705 0 C-N-CA 122.737 2.291 . . . . 0.0 112.14 175.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 6.7 mp0 -112.93 169.81 8.65 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.615 0.721 . . . . 0.0 111.569 -175.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -110.7 127.27 55.24 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.455 -1.248 . . . . 0.0 107.971 173.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.469 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.6 mm -82.87 124.39 39.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 CA-C-O 121.36 0.6 . . . . 0.0 111.019 -179.275 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -113.86 131.53 56.23 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.184 -0.916 . . . . 0.0 109.498 179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -97.5 98.38 9.88 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-O 120.914 0.387 . . . . 0.0 110.35 -175.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.494 HG12 HG12 ' A' ' 44' ' ' ILE . 51.8 mt -86.75 111.04 20.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.467 178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.481 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 50.7 mtm -105.82 153.04 22.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.812 0.339 . . . . 0.0 111.645 -178.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.08 -158.79 25.93 Favored Glycine 0 N--CA 1.444 -0.816 0 N-CA-C 111.064 -0.814 . . . . 0.0 111.064 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 24.5 Cg_exo -66.82 132.71 29.26 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 121.968 1.778 . . . . 0.0 110.36 173.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.617 ' HG2' ' HA ' ' A' ' 8' ' ' ARG . 74.7 Cg_exo -53.46 -38.95 83.54 Favored 'Trans proline' 0 N--CA 1.474 0.326 0 C-N-CA 124.061 3.174 . . . . 0.0 114.379 -169.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -70.29 -32.68 70.57 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.353 0.597 . . . . 0.0 109.855 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 40' ' ' ALA . 81.8 mtt180 -75.7 -29.57 59.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.893 179.105 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.426 ' HB3' HG12 ' A' ' 13' ' ' ILE . 58.7 m -63.82 -39.62 94.67 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 173.331 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.506 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 43.3 mt-10 -64.73 -48.07 75.95 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.122 174.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -54.51 -47.2 73.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.502 177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.2 -43.53 98.73 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.072 179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.48 -39.94 92.74 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.798 177.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.506 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 97.4 mtt180 -57.89 -47.81 81.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.718 178.226 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 63.2 mt -56.04 -44.25 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.001 -179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.588 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.5 mt -72.25 -46.8 56.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.639 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -68.39 -43.11 78.03 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.83 -175.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -61.86 -38.2 87.36 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.093 0.473 . . . . 0.0 109.739 177.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 53.3 tp -56.78 -55.82 29.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.465 174.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.639 HD12 ' HA ' ' A' ' 75' ' ' ASN . 20.1 mt -54.0 -48.5 70.35 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 121.383 0.611 . . . . 0.0 110.812 178.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -57.57 -34.0 68.75 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.748 -1.115 . . . . 0.0 111.657 -178.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.6 m -81.8 -18.65 43.32 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.807 -176.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.9 mt -76.34 -46.0 29.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.951 0.405 . . . . 0.0 111.073 -176.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -68.27 138.59 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.359 -173.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.8 t -75.31 109.54 8.91 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -84.83 -178.45 51.13 Favored Glycine 0 N--CA 1.446 -0.7 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.553 -176.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -74.05 126.38 10.53 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.925 2.417 . . . . 0.0 111.965 178.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.88 126.5 13.98 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.609 2.206 . . . . 0.0 111.218 175.527 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.9 115.84 0.4 Allowed Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.196 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.495 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 56.8 Cg_endo -70.73 131.72 20.4 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.778 2.319 . . . . 0.0 112.231 -179.176 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.495 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 12.3 Cg_exo -71.64 -22.14 24.57 Favored 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.868 2.379 . . . . 0.0 111.479 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -143.23 99.46 0.23 Allowed Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.533 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -132.45 157.33 22.48 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.16 -179.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 25.8 Cg_exo -62.47 134.81 49.96 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.937 2.424 . . . . 0.0 111.852 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.09 -20.54 42.82 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.658 -0.782 . . . . 0.0 111.931 -179.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.708 ' HB2' ' HD3' ' A' ' 95' ' ' PRO . 89.8 mtp -76.13 -51.38 2.76 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 122.995 -0.12 . . . . 0.0 110.684 178.067 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.708 ' HD3' ' HB2' ' A' ' 94' ' ' MET . 17.9 Cg_exo -67.92 134.85 33.35 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 121.928 1.752 . . . . 0.0 111.212 172.692 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 8.2 Cg_exo -72.9 66.19 4.04 Favored 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.183 2.589 . . . . 0.0 112.518 -178.372 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -86.18 54.0 4.67 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.221 -0.514 . . . . 0.0 112.625 -179.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -121.34 80.43 0.34 Allowed Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -82.54 58.1 4.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.081 0.467 . . . . 0.0 111.322 -173.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 173.86 175.33 41.44 Favored Glycine 0 N--CA 1.445 -0.737 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.632 178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.417 ' HB2' ' O ' ' A' ' 104' ' ' GLY . 15.0 ptt85 -90.84 -26.18 19.52 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.752 0.311 . . . . 0.0 110.618 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 71.84 -112.41 4.08 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.984 -0.553 . . . . 0.0 112.736 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 23.6 tpp180 -100.76 -18.65 16.37 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.113 0.482 . . . . 0.0 110.104 -178.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.417 ' O ' ' HB2' ' A' ' 101' ' ' ARG . . . -81.99 131.61 10.53 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.908 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 6.4 tp60 -90.43 -36.1 14.76 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.076 0.465 . . . . 0.0 110.267 -177.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.423 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.071 -178.805 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.611 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 C3'-C2'-C1' 100.414 -1.207 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.473 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 107.824 1.017 . 0.081 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.756 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C4'-C3'-C2' 105.8 3.1 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.756 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 P-O3'-C3' 122.353 2.211 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.546 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.427 -0.837 1 C4'-C3'-C2' 106.841 4.141 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.619 0 N-CA-C 111.745 -0.542 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.71 40.27 1.41 Allowed 'General case' 0 C--O 1.237 0.397 0 CA-C-O 121.455 0.645 . . . . 0.0 110.135 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 1.6 mpt? -85.29 47.65 1.45 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.896 -177.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.27 -23.09 15.31 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.394 177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.8 t80 -157.19 137.91 13.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.532 179.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 90.65 -5.99 82.21 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.039 -0.6 . . . . 0.0 111.765 -177.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.8 p -78.95 121.01 24.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.006 0.431 . . . . 0.0 110.792 -178.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 8' ' ' ARG . 27.4 mtp-105 -125.33 137.76 54.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.869 -178.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.485 ' HA ' HG22 ' A' ' 13' ' ' ILE . 26.7 pt -97.61 14.5 3.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.042 0.449 . . . . 0.0 111.081 178.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -82.61 64.79 4.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.438 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.601 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . 141.93 -138.89 8.9 Favored Glycine 0 N--CA 1.447 -0.584 0 N-CA-C 111.288 -0.725 . . . . 0.0 111.288 179.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . -65.27 122.62 23.86 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.467 175.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.485 HG22 ' HA ' ' A' ' 9' ' ' ILE . 43.7 pt -109.88 139.92 31.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 120.984 0.421 . . . . 0.0 110.789 -176.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' HB3' HG23 ' A' ' 57' ' ' ILE . 9.1 m-20 -95.74 107.45 19.67 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.834 179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.5 m -102.63 128.95 26.9 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.614 -175.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -86.04 107.51 0.89 Allowed 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.588 2.192 . . . . 0.0 112.425 177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 10.4 p -103.86 125.06 35.65 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.59 179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_endo -46.5 134.85 16.4 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 123.623 2.882 . . . . 0.0 113.011 -176.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.571 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 17.6 mtm180 -62.64 -16.63 57.74 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.146 -179.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -86.83 -2.42 58.56 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.088 0.47 . . . . 0.0 110.517 178.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.598 ' O ' HG22 ' A' ' 24' ' ' VAL . 39.4 m -138.84 17.99 2.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.837 0.351 . . . . 0.0 111.632 178.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.3 m -63.73 -40.82 90.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.698 0.285 . . . . 0.0 111.063 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.57 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -78.12 -37.7 28.1 Favored Glycine 0 N--CA 1.445 -0.751 0 C-N-CA 120.419 -0.896 . . . . 0.0 112.082 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.644 HG21 HD11 ' A' ' 81' ' ' LEU . 1.5 m -57.0 -34.78 45.6 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 112.116 0.414 . . . . 0.0 112.116 -179.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.669 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 14.9 m -82.4 -28.64 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 120.334 -0.547 . . . . 0.0 111.84 -177.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.876 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -82.81 -36.78 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.907 178.133 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 110.99 -171.02 14.16 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.401 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt85 -87.75 -26.99 22.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.415 0.626 . . . . 0.0 109.646 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -123.84 1.55 8.73 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.755 -177.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.559 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 85.87 3.9 85.27 Favored Glycine 0 N--CA 1.443 -0.849 0 C-N-CA 120.583 -0.818 . . . . 0.0 111.424 -175.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -68.1 -24.94 65.09 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.194 0.521 . . . . 0.0 110.296 -177.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.47 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.0 tpt -75.6 -45.68 36.08 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.749 -176.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.876 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.1 tt -71.0 -28.28 32.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 C-N-CA 120.317 -0.553 . . . . 0.0 110.045 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.53 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 58.0 mtmt -67.85 -29.82 69.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 175.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.5 -40.31 73.64 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 173.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 56.4 mt -59.94 -45.78 94.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.171 0.51 . . . . 0.0 109.994 176.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.419 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 25.8 mt-30 -63.72 -42.24 97.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.859 177.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -67.52 -50.65 57.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.899 -177.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -64.55 -34.42 78.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.646 -176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -97.12 -23.43 16.23 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.547 0.573 . . . . 0.0 112.547 -177.236 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.03 37.97 17.02 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 121.026 -0.607 . . . . 0.0 112.23 -177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -121.04 177.07 3.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.028 0.442 . . . . 0.0 111.435 -176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -126.27 111.27 14.36 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.723 -0.672 . . . . 0.0 109.433 173.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 60' ' ' ILE . 50.0 mt -106.67 118.66 54.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.474 -176.01 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -132.58 126.94 33.94 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.184 177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.455 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 80.3 m-85 -70.33 136.4 49.71 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.786 0.327 . . . . 0.0 110.427 178.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.66 ' O ' ' HG2' ' A' ' 48' ' ' GLN . 9.0 mtpm? -75.11 118.76 18.4 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.315 179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.66 ' HG2' ' O ' ' A' ' 47' ' ' LYS . 0.6 OUTLIER 43.95 -153.47 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 O-C-N 124.271 0.982 . . . . 0.0 112.181 179.804 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -115.81 48.3 1.24 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 176.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.02 139.16 57.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.155 -0.93 . . . . 0.0 111.554 -173.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -139.27 33.2 2.18 Favored Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 174.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 74.7 p -91.72 -39.29 11.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.955 0.407 . . . . 0.0 110.702 -176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -87.95 164.45 34.0 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.739 -0.743 . . . . 0.0 111.28 177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.571 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 86.2 Cg_endo -72.16 -20.38 24.96 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.344 2.029 . . . . 0.0 110.585 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.545 ' OE1' ' HG2' ' A' ' 54' ' ' PRO . 5.6 mp0 -114.61 169.25 9.2 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.402 177.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.513 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 8.8 tppt? -110.32 122.29 47.32 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 178.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.478 HG23 ' HB3' ' A' ' 14' ' ' ASP . 18.0 mm -73.57 104.78 2.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-O 121.449 0.642 . . . . 0.0 111.462 178.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -99.33 127.24 45.32 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.551 175.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -91.95 98.37 11.53 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 -176.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 HG12 HG12 ' A' ' 44' ' ' ILE . 43.1 mt -83.84 104.22 12.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 176.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.461 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 64.9 mtm -101.07 139.01 37.35 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -174.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 147.31 -165.15 28.66 Favored Glycine 0 N--CA 1.442 -0.931 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.221 176.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.497 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 33.5 Cg_exo -62.68 132.97 39.92 Favored 'Trans proline' 0 N--CA 1.463 -0.306 0 C-N-CA 122.417 2.078 . . . . 0.0 110.807 173.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.601 ' HG3' ' N ' ' A' ' 11' ' ' GLY . 53.7 Cg_exo -54.64 -34.42 83.33 Favored 'Trans proline' 0 N--CA 1.475 0.417 0 C-N-CA 123.784 2.989 . . . . 0.0 113.533 -171.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -61.31 -41.67 97.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.201 0.524 . . . . 0.0 110.442 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.497 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 87.2 mtt180 -72.32 -36.88 69.0 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.933 178.426 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 79.8 m -60.57 -44.6 95.99 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.925 178.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -72.69 -31.23 64.88 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.907 0.384 . . . . 0.0 110.91 178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.403 ' O ' HG13 ' A' ' 73' ' ' ILE . 2.9 t-160 -59.36 -49.64 77.06 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 171.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.94 -41.03 97.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.969 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.55 -44.92 77.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.714 176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -60.16 -42.49 95.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 69' ' ' HIS . 64.7 mt -59.89 -46.76 93.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.827 -179.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 93.7 mt -67.9 -44.62 85.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.311 179.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.89 -45.41 90.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.498 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -63.35 -37.81 88.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.847 0.356 . . . . 0.0 110.881 178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.669 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 39.7 tp -67.54 -33.16 74.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.98 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 44.2 mt -69.96 -32.75 71.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.84 0.828 . . . . 0.0 109.81 175.209 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 50.2 tp60 -84.16 -26.36 28.9 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.712 -1.131 . . . . 0.0 111.661 -171.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.6 p -74.28 -27.94 60.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.75 0.309 . . . . 0.0 111.036 -178.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.644 HD11 HG21 ' A' ' 24' ' ' VAL . 32.9 mt -70.37 -28.67 65.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.248 0.546 . . . . 0.0 110.363 178.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -73.26 121.86 21.03 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.903 -176.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.3 t -135.33 91.72 2.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.934 0.397 . . . . 0.0 110.24 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.74 -173.13 45.46 Favored Glycine 0 N--CA 1.45 -0.367 0 N-CA-C 111.655 -0.578 . . . . 0.0 111.655 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.417 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 13.7 Cg_exo -69.91 128.07 15.38 Favored 'Trans proline' 0 CA--C 1.529 0.27 0 C-N-CA 122.752 2.301 . . . . 0.0 112.074 179.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 2.7 Cg_exo -76.73 49.96 2.88 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 123.332 2.688 . . . . 0.0 112.397 -179.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.453 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 152.87 -120.75 1.09 Allowed Glycine 0 N--CA 1.444 -0.806 0 N-CA-C 111.477 -0.649 . . . . 0.0 111.477 -178.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.453 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 12.7 Cg_exo -70.13 145.53 55.25 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.79 2.327 . . . . 0.0 112.15 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -70.2 -5.05 15.57 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.959 2.439 . . . . 0.0 112.172 179.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -89.13 4.57 84.6 Favored Glycine 0 N--CA 1.446 -0.674 0 N-CA-C 111.66 -0.576 . . . . 0.0 111.66 176.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -111.4 154.1 16.88 Favored Glycine 0 N--CA 1.443 -0.878 0 C-N-CA 121.043 -0.598 . . . . 0.0 111.811 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.2 Cg_exo -79.28 119.55 4.24 Favored 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.068 2.512 . . . . 0.0 112.178 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -96.85 -56.39 1.15 Allowed Glycine 0 N--CA 1.45 -0.42 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 26.4 mmt -122.6 80.39 47.58 Favored Pre-proline 0 C--N 1.323 -0.566 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.522 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 33.3 Cg_endo -63.25 120.5 7.98 Favored 'Trans proline' 0 C--O 1.234 0.316 0 C-N-CA 122.972 2.448 . . . . 0.0 113.157 -174.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.522 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 6.2 Cg_exo -79.77 176.65 9.26 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 123.266 2.644 . . . . 0.0 111.84 177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.86 -17.57 29.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.512 178.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -78.41 72.5 2.34 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 121.126 -0.559 . . . . 0.0 111.856 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.8 tpt180 -97.88 123.02 41.67 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.75 0.31 . . . . 0.0 110.31 -178.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 163.84 -171.6 39.5 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 121.094 -0.574 . . . . 0.0 111.76 178.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 38.0 mmt180 -88.25 95.76 10.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 0.0 110.085 179.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 96.61 -7.86 65.91 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.309 -177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.425 HH11 ' HD3' ' A' ' 103' ' ' ARG . 47.2 mtt180 68.41 -71.55 0.11 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.646 0.778 . . . . 0.0 111.594 179.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 177.05 -166.95 37.95 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.111 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.12 58.27 4.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.23 0.538 . . . . 0.0 111.418 -177.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.483 0 C-N-CA 120.944 -0.646 . . . . 0.0 112.22 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.581 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 C3'-C2'-C1' 100.805 -0.772 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.554 " O4'" ' H8 ' ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 104.093 1.393 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.599 " H4'" " C5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.963 0 C1'-O4'-C4' 106.988 -2.902 OUTLIER-EPSILON 0.031 0a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.599 " C5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 P--O3' 1.616 0.747 1 P-O3'-C3' 125.238 4.615 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.673 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.938 1 C4'-C3'-C2' 106.94 4.24 . 0.236 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.678 0 N-CA-C 111.876 -0.49 . . . . 0.0 111.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.27 80.42 6.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.991 0.424 . . . . 0.0 111.031 -178.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 61.6 mtt -103.44 -42.48 5.68 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.737 178.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -163.24 77.07 0.42 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.187 -0.915 . . . . 0.0 108.702 177.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -109.01 57.02 0.61 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.489 0.662 . . . . 0.0 110.7 -169.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.534 ' HA2' HG23 ' A' ' 9' ' ' ILE . . . -84.63 60.06 4.85 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.42 178.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 7.7 p -85.54 119.17 25.59 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 176.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 71.64 -47.57 0.66 Allowed 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.546 0.738 . . . . 0.0 111.024 -175.521 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.754 HG13 ' HB3' ' A' ' 64' ' ' PRO . 1.8 tp -64.86 111.99 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 121.152 0.501 . . . . 0.0 109.742 172.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.597 ' HA2' ' HG3' ' A' ' 64' ' ' PRO . . . -147.47 115.12 0.74 Allowed Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.148 -179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.496 ' H ' ' HG3' ' A' ' 64' ' ' PRO . . . 80.53 -144.37 25.48 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 120.848 -0.691 . . . . 0.0 111.809 -179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . -81.37 145.58 25.47 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.184 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.546 HD13 HD13 ' A' ' 9' ' ' ILE . 34.1 pt -131.97 163.75 36.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.768 0.318 . . . . 0.0 111.204 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -101.34 121.47 41.96 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.412 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.503 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 24.5 m -115.89 127.87 26.43 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 9.6 Cg_endo -88.4 119.35 1.14 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.422 2.748 . . . . 0.0 113.077 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.485 HG13 HG12 ' A' ' 22' ' ' VAL . 9.8 p -114.81 124.28 30.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.414 178.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.52 138.08 24.94 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.903 2.402 . . . . 0.0 112.382 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.618 ' HA ' HG13 ' A' ' 22' ' ' VAL . 43.5 mtm180 -62.09 -24.22 66.99 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.847 -176.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.49 ' HA ' ' O6 ' ' B' ' 2' ' ' ' G' . 9.6 t-80 -88.06 11.5 15.94 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.343 0.592 . . . . 0.0 110.037 177.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 24' ' ' VAL . 21.1 m -141.19 11.85 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.063 176.092 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.618 HG13 ' HA ' ' A' ' 19' ' ' ARG . 6.4 m -64.5 -42.15 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 C-N-CA 120.862 -0.335 . . . . 0.0 111.196 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.505 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -81.5 -30.4 36.73 Favored Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.264 -0.97 . . . . 0.0 111.889 179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.662 HG22 ' O ' ' A' ' 21' ' ' SER . 1.7 m -59.28 -36.83 65.69 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 179.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.607 HG12 HD22 ' A' ' 77' ' ' LEU . 14.8 m -82.42 -29.02 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.139 0 C-N-CA 120.43 -0.508 . . . . 0.0 111.615 -177.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.902 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.39 -32.41 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.989 176.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 100.62 160.98 27.92 Favored Glycine 0 N--CA 1.443 -0.894 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.578 176.012 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.472 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 58.1 ttt180 -53.14 -29.63 32.37 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 123.137 0.575 . . . . 0.0 111.822 179.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.414 ' HB3' ' HG2' ' A' ' 31' ' ' GLU . 38.1 t -136.87 20.96 3.05 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.977 -173.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.468 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 74.84 -4.53 37.01 Favored Glycine 0 CA--C 1.52 0.394 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.674 -177.243 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 29' ' ' SER . 54.9 mm-40 -54.32 -38.91 66.5 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-O 121.355 0.598 . . . . 0.0 111.046 178.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.445 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.9 tpt -72.5 -42.04 65.27 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.12 -172.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.902 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.0 tp -71.32 -30.05 38.29 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.123 0 C-N-CA 120.591 -0.443 . . . . 0.0 110.031 178.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.7 mtmt -65.77 -34.69 78.75 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.1 tmtt? -68.27 -39.01 82.31 Favored 'General case' 0 C--O 1.221 -0.418 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.561 177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.622 HD12 HD12 ' A' ' 33' ' ' ILE . 63.3 mt -65.76 -43.5 93.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.869 0.366 . . . . 0.0 110.225 176.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.43 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.1 mt-30 -64.19 -34.91 79.16 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.116 177.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -76.74 -51.4 11.49 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.898 -178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -56.02 -39.18 71.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.555 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -99.46 -21.74 15.82 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -176.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.87 42.18 17.18 Favored Glycine 0 CA--C 1.518 0.276 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.766 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.4 m -127.34 170.07 17.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.582 0.23 . . . . 0.0 111.088 -177.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -111.06 114.23 27.36 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.443 -0.576 . . . . 0.0 109.443 173.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG12 HG12 ' A' ' 60' ' ' ILE . 53.0 mt -104.77 116.73 49.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.259 -177.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -121.61 116.61 24.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.873 0.368 . . . . 0.0 110.241 176.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.414 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 5.1 m-85 -71.19 135.48 47.58 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.483 -179.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.445 ' HD2' ' CG2' ' A' ' 57' ' ' ILE . 61.4 mttm -83.67 92.84 7.78 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 170.135 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 37.7 tp60 -77.13 67.09 3.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 122.068 0.937 . . . . 0.0 110.26 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -102.87 90.14 3.69 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.41 -1.268 . . . . 0.0 107.852 171.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.49 129.24 38.29 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.014 -169.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 98.82 13.99 38.5 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.118 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.1 t -86.14 28.14 0.85 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.481 0.658 . . . . 0.0 111.398 -177.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 115.81 -169.22 12.87 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.888 -0.673 . . . . 0.0 111.909 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 91.1 Cg_endo -79.21 -8.05 15.19 Favored 'Trans proline' 0 C--O 1.233 0.246 0 C-N-CA 122.961 2.441 . . . . 0.0 111.699 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -120.61 162.96 18.77 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.717 177.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.587 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 7.1 tppt? -110.38 135.78 50.57 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 174.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.445 ' CG2' ' HD2' ' A' ' 47' ' ' LYS . 28.9 mm -87.63 128.61 39.99 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 C-N-CA 120.014 -0.674 . . . . 0.0 110.709 179.204 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.478 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -114.61 129.74 56.71 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.243 176.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -97.58 97.91 9.46 Favored 'General case' 0 C--N 1.317 -0.842 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.061 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.527 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 52.6 mt -84.57 113.13 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.314 178.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.483 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -108.43 140.06 42.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.012 0.434 . . . . 0.0 111.525 -179.142 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 156.68 -165.06 32.9 Favored Glycine 0 N--CA 1.44 -1.044 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 175.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.519 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 24.5 Cg_exo -65.21 127.11 17.63 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 122.288 1.992 . . . . 0.0 110.819 172.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.754 ' HB3' HG13 ' A' ' 9' ' ' ILE . 23.9 Cg_exo -40.02 -50.07 3.49 Favored 'Trans proline' 0 N--CA 1.476 0.458 0 C-N-CA 124.176 3.251 . . . . 0.0 114.965 -173.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -60.98 -28.8 69.28 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.798 0.332 . . . . 0.0 111.618 -179.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 85.9 mtt180 -79.58 -36.52 38.06 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 176.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 86.3 m -58.96 -42.71 90.52 Favored 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.416 0.627 . . . . 0.0 110.964 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.762 ' O ' ' HG2' ' A' ' 72' ' ' ARG . 4.9 mm-40 -69.74 -44.26 70.61 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.872 179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 23.3 t-160 -54.51 -47.96 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.081 0.467 . . . . 0.0 109.771 175.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.447 ' HA ' HD12 ' A' ' 73' ' ' ILE . . . -58.41 -45.05 89.17 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.232 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.98 -39.09 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.368 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.762 ' HG2' ' O ' ' A' ' 68' ' ' GLU . 7.1 mmt180 -69.07 -29.31 67.4 Favored 'General case' 0 CA--C 1.514 -0.413 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 -178.171 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 75.5 mt -66.54 -43.03 90.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 178.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.609 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.0 mt -71.83 -44.08 68.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.204 177.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -60.41 -55.5 32.79 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.392 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.23 -37.04 74.07 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.596 179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.607 HD22 HG12 ' A' ' 25' ' ' VAL . 8.9 tt -57.49 -56.35 22.94 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.086 176.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.609 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 35.5 mt -54.69 -45.31 73.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.638 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.428 ' OE1' ' HD2' ' A' ' 82' ' ' ARG . 7.4 tp60 -63.74 -34.62 78.3 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.554 -176.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.4 m -73.91 -29.77 62.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.858 0.361 . . . . 0.0 110.994 -176.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.526 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 35.7 mt -70.61 -26.82 63.67 Favored 'General case' 0 CA--C 1.514 -0.43 0 CA-C-O 121.114 0.483 . . . . 0.0 110.133 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 78' ' ' LEU . 99.3 mtt180 -70.85 106.39 3.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.797 -175.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -118.09 101.9 8.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.658 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.88 -148.73 10.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.325 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.413 ' HA ' ' HD3' ' A' ' 86' ' ' PRO . 18.3 Cg_exo -66.95 134.26 33.86 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.974 2.449 . . . . 0.0 112.171 -178.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 85' ' ' PRO . 12.5 Cg_exo -70.17 109.33 2.36 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.908 2.405 . . . . 0.0 111.77 176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 173.85 88.65 0.07 OUTLIER Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.356 -0.698 . . . . 0.0 111.356 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 29.4 Cg_endo -61.95 117.63 4.48 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.968 2.445 . . . . 0.0 112.563 -176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 7.8 Cg_endo -84.6 66.9 6.55 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 122.978 2.452 . . . . 0.0 111.74 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -66.43 100.52 0.54 Allowed Glycine 0 N--CA 1.451 -0.364 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.756 177.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 90.53 83.6 1.39 Allowed Glycine 0 N--CA 1.445 -0.736 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -174.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.38 -3.49 13.92 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.592 2.195 . . . . 0.0 113.28 -175.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.22 65.32 3.34 Favored Glycine 0 CA--C 1.517 0.172 0 C-N-CA 121.093 -0.575 . . . . 0.0 112.388 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 19.2 mmt 64.12 87.71 0.12 Allowed Pre-proline 0 N--CA 1.464 0.23 0 C-N-CA 123.225 0.61 . . . . 0.0 111.703 -177.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -76.75 133.95 14.52 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 123.051 2.501 . . . . 0.0 111.303 176.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.64 114.79 2.54 Favored 'Trans proline' 0 C--O 1.236 0.377 0 C-N-CA 122.655 2.237 . . . . 0.0 112.147 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -134.03 -173.72 13.28 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.101 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.98 156.79 27.31 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.024 -178.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 57.41 60.8 2.73 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.158 0.504 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -79.37 44.83 2.74 Favored Glycine 0 C--N 1.33 0.201 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.092 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -105.75 116.53 32.09 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 80.47 -57.78 4.7 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.717 -176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -92.55 -179.31 5.15 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 102.02 -102.23 2.3 Favored Glycine 0 N--CA 1.448 -0.51 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 76.9 mm-40 -104.4 -24.37 13.07 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.914 0.388 . . . . 0.0 110.176 175.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.35 177.475 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.52 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.426 -0.887 0 O4'-C1'-C2' 107.808 1.006 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.505 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C4'-C3'-C2' 104.578 1.878 . 0.018 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.845 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 105.771 3.071 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.845 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 P-O3'-C3' 122.142 2.035 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.614 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.961 1 C4'-C3'-C2' 106.961 4.261 . 0.189 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.613 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 69.96 -63.06 0.41 Allowed 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 123.458 0.703 . . . . 0.0 111.753 178.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 46.7 mtm -120.17 80.68 1.63 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.789 0.328 . . . . 0.0 111.055 -176.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.6 84.5 4.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.06 -0.718 . . . . 0.0 109.06 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -64.38 108.64 1.68 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.55 -175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -162.64 -152.62 6.84 Favored Glycine 0 N--CA 1.446 -0.697 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.561 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.0 t -125.02 130.29 52.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.073 0.463 . . . . 0.0 110.268 -178.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 43.4 mtm105 -89.65 146.99 24.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.535 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.9 mm 68.43 105.46 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.334 0 O-C-N 123.843 0.714 . . . . 0.0 111.455 -178.516 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -90.63 176.15 41.13 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.949 -0.643 . . . . 0.0 112.438 179.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.9 71.89 1.88 Allowed Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 121.057 -0.592 . . . . 0.0 112.03 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.564 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 125.52 105.48 1.52 Allowed Glycine 0 N--CA 1.444 -0.792 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -175.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 39.0 pt -123.25 154.76 29.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-O 120.851 0.358 . . . . 0.0 111.25 -172.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' HB3' HG23 ' A' ' 57' ' ' ILE . 1.5 m-20 -96.83 115.1 26.85 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.488 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 21.9 m -105.8 128.62 26.1 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-O 120.88 0.372 . . . . 0.0 111.042 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.488 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 1.2 Cg_endo -85.64 113.87 1.4 Allowed 'Trans proline' 0 N--CA 1.456 -0.688 0 C-N-CA 123.303 2.669 . . . . 0.0 112.01 177.005 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 56' ' ' LYS . 12.5 p -109.13 127.69 26.81 Favored Pre-proline 0 C--N 1.321 -0.634 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.155 178.243 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 75.9 Cg_exo -51.6 133.48 44.12 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.755 2.303 . . . . 0.0 112.3 178.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.723 ' HA ' HG13 ' A' ' 22' ' ' VAL . 69.3 mtm180 -65.84 -19.64 65.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.63 -177.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 t-160 -82.84 7.38 15.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.27 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 24' ' ' VAL . 38.1 m -150.43 19.92 0.84 Allowed 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.395 178.41 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.723 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.2 m -62.31 -46.42 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.06 0.392 . . . . 0.0 112.06 -178.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.679 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -76.7 -32.82 49.02 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.114 -1.041 . . . . 0.0 111.688 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.605 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -58.18 -34.58 50.02 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.699 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.6 m -82.7 -28.12 8.45 Favored 'Isoleucine or valine' 0 C--O 1.232 0.169 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.792 -177.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.813 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.8 OUTLIER -82.2 -33.29 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.747 176.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.83 -167.01 12.61 Favored Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 121.071 -0.585 . . . . 0.0 111.649 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -90.64 -34.22 15.53 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.358 0.599 . . . . 0.0 109.791 178.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.0 m -118.29 -1.37 11.32 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.242 -0.89 . . . . 0.0 109.967 -179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.734 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 92.24 6.0 65.1 Favored Glycine 0 N--CA 1.443 -0.86 0 CA-C-N 115.381 -0.827 . . . . 0.0 112.088 -176.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.646 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.0 OUTLIER -63.73 -34.17 77.28 Favored 'General case' 0 CA--C 1.513 -0.48 0 CA-C-O 121.684 0.754 . . . . 0.0 109.31 -179.24 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.469 ' O ' HG13 ' A' ' 36' ' ' ILE . 14.4 tpt -66.26 -47.11 74.76 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.835 -177.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.813 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 15.7 tt -74.42 -25.98 19.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 C-N-CA 120.234 -0.586 . . . . 0.0 110.609 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.646 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.9 mtmt -63.54 -34.76 78.5 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.395 -0.594 . . . . 0.0 109.395 173.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.1 tttp -69.76 -39.92 76.42 Favored 'General case' 0 C--O 1.218 -0.585 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.204 174.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.501 HD13 HG12 ' A' ' 74' ' ' ILE . 53.2 mt -59.08 -44.27 91.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.028 0.442 . . . . 0.0 109.925 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -65.96 -45.6 81.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.212 177.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -66.77 -53.7 30.39 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.945 -177.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -63.11 -37.88 88.96 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.562 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -89.69 -21.47 22.71 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.859 0.318 . . . . 0.0 111.859 -178.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.92 35.92 29.84 Favored Glycine 0 CA--C 1.521 0.413 0 C-N-CA 121.117 -0.563 . . . . 0.0 112.439 -179.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.2 m -122.3 177.68 3.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.878 0.37 . . . . 0.0 111.442 -175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.6 mmm180 -124.02 119.83 30.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.226 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.474 HG12 HG12 ' A' ' 60' ' ' ILE . 45.6 mt -114.61 124.76 71.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.785 0.326 . . . . 0.0 110.787 -175.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -125.84 124.1 40.16 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.816 174.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -73.62 117.33 15.25 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.442 176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.54 ' HD3' HG22 ' A' ' 57' ' ' ILE . 49.2 mtpt -70.86 123.05 21.07 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 177.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -54.15 135.91 43.11 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 123.581 0.55 . . . . 0.0 111.488 -173.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.611 ' O ' HG23 ' A' ' 52' ' ' THR . 15.8 t0 -61.69 -78.01 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.567 -168.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.5 t70 63.24 17.93 10.6 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-O 121.732 0.777 . . . . 0.0 110.848 -177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 89.41 48.96 3.58 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.228 179.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 49' ' ' ASP . 9.2 p -68.09 -56.87 7.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.04 0.447 . . . . 0.0 111.42 -179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.43 -152.34 11.4 Favored Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -179.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -78.64 -19.79 11.11 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.91 2.407 . . . . 0.0 111.976 -178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -112.66 171.54 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.141 177.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.538 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.2 tppt? -110.1 125.2 52.73 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 175.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' HD3' ' A' ' 47' ' ' LYS . 33.9 mm -86.65 124.62 40.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.706 0.765 . . . . 0.0 110.998 -178.48 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -116.03 130.95 57.05 Favored 'General case' 0 C--N 1.31 -1.116 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.585 178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.5 t-160 -95.76 98.31 10.36 Favored 'General case' 0 C--N 1.317 -0.821 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.989 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.515 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 55.3 mt -84.8 111.0 19.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.573 -0.739 . . . . 0.0 109.747 177.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.564 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 62.2 mtm -107.92 149.15 28.68 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.76 0.314 . . . . 0.0 111.296 -175.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 143.42 -166.88 26.7 Favored Glycine 0 N--CA 1.438 -1.201 0 N-CA-C 111.26 -0.736 . . . . 0.0 111.26 177.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.631 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 31.5 Cg_exo -60.38 128.46 26.22 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.316 2.01 . . . . 0.0 110.956 173.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 63' ' ' PRO . 89.7 Cg_exo -47.97 -43.96 28.78 Favored 'Trans proline' 0 N--CA 1.473 0.317 0 C-N-CA 123.661 2.907 . . . . 0.0 114.042 -168.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -65.19 -28.46 69.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.736 0.303 . . . . 0.0 110.961 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.631 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.57 -33.37 64.62 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.096 175.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 61.1 m -62.47 -39.43 93.39 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -61.82 -51.8 66.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.216 174.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.499 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -50.42 -49.32 55.08 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.142 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.36 -47.25 86.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.38 -179.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.96 -38.86 83.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.866 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 62.1 mtt180 -65.81 -34.91 79.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.594 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 69' ' ' HIS . 80.3 mt -64.93 -46.09 92.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.911 0.386 . . . . 0.0 110.496 177.241 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.505 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.3 mt -66.52 -44.59 90.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.247 179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.445 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.8 OUTLIER -63.56 -35.83 81.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.563 179.89 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -68.81 -37.33 79.16 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.957 0.408 . . . . 0.0 110.55 177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.699 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 29.2 tp -64.63 -40.69 95.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.61 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 27.2 mt -64.42 -33.99 77.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.696 0.76 . . . . 0.0 110.076 175.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -77.55 -29.7 52.34 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.761 -1.108 . . . . 0.0 111.533 -172.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.6 p -79.82 -21.08 44.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.758 0.313 . . . . 0.0 111.46 -176.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 30.6 mt -78.4 -29.49 47.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.088 0.471 . . . . 0.0 110.327 179.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -94.66 147.27 23.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.062 -175.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.6 m 68.72 7.84 6.37 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.491 178.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 178.14 75.08 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.96 -0.638 . . . . 0.0 111.757 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.409 ' O ' ' HD2' ' A' ' 89' ' ' PRO . 22.0 Cg_endo -61.41 125.76 17.62 Favored 'Trans proline' 0 C--O 1.233 0.256 0 C-N-CA 122.453 2.102 . . . . 0.0 111.788 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.24 54.97 2.37 Favored 'Trans proline' 0 CA--C 1.534 0.491 0 C-N-CA 123.28 2.653 . . . . 0.0 113.199 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -119.55 -82.2 0.75 Allowed Glycine 0 N--CA 1.449 -0.478 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.63 ' HB2' ' HD3' ' A' ' 89' ' ' PRO . 47.3 Cg_exo -55.02 -52.95 6.76 Favored 'Trans proline' 0 CA--C 1.542 0.895 0 C-N-CA 122.641 2.227 . . . . 0.0 112.768 173.296 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.63 ' HD3' ' HB2' ' A' ' 88' ' ' PRO . 3.8 Cg_exo -77.83 69.09 7.53 Favored 'Trans proline' 0 C--N 1.358 1.077 0 C-N-CA 122.155 1.903 . . . . 0.0 111.56 175.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -148.72 -156.69 7.23 Favored Glycine 0 N--CA 1.444 -0.779 0 C-N-CA 120.907 -0.663 . . . . 0.0 111.73 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 172.55 131.98 1.45 Allowed Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.669 -0.572 . . . . 0.0 111.669 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -81.68 26.05 0.63 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 123.003 2.469 . . . . 0.0 112.942 -178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 103.08 -131.2 10.53 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.789 -0.72 . . . . 0.0 111.92 -179.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.528 ' O ' ' HD3' ' A' ' 96' ' ' PRO . 16.8 tpt -141.47 113.2 6.63 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-O 120.496 0.189 . . . . 0.0 110.624 -179.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -92.29 101.53 0.19 Allowed 'Trans proline' 0 N--CA 1.454 -0.837 0 C-N-CA 123.524 2.816 . . . . 0.0 111.891 174.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.528 ' HD3' ' O ' ' A' ' 94' ' ' MET . 3.6 Cg_exo -80.82 88.95 1.34 Allowed 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.058 2.506 . . . . 0.0 111.675 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -82.45 -56.35 2.84 Favored Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.206 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 168.11 73.76 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.236 -0.983 . . . . 0.0 112.508 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -106.65 116.95 32.81 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 176.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 72.44 70.93 1.13 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.068 -177.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -97.28 102.49 14.27 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.834 0.35 . . . . 0.0 111.032 -178.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 81.16 -162.3 44.13 Favored Glycine 0 N--CA 1.444 -0.781 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.989 174.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -121.09 -41.18 2.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 142.13 -136.82 7.5 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.921 -0.657 . . . . 0.0 111.581 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -92.45 76.09 5.15 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.429 0.633 . . . . 0.0 109.965 177.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.58 0 CA-C-N 115.589 -0.732 . . . . 0.0 112.059 -178.821 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.513 " H1'" HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C4'-C3'-C2' 100.991 -1.709 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.679 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.901 0 O4'-C1'-C2' 108.476 1.483 . 0.022 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.754 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.905 3.205 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.754 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 P-O3'-C3' 122.288 2.156 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.66 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.424 -1.018 1 C4'-C3'-C2' 106.955 4.255 . 0.191 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.695 0 N-CA-C 112.115 -0.394 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.48 56.65 7.05 Favored 'General case' 0 C--O 1.234 0.24 0 C-N-CA 122.854 0.462 . . . . 0.0 111.671 178.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 49.3 ttm -142.51 -82.4 0.19 Allowed 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.891 -0.324 . . . . 0.0 111.558 -178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -166.83 157.45 11.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.992 0.425 . . . . 0.0 111.692 -177.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 55.6 t80 -130.09 120.41 24.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.555 175.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -106.53 138.56 14.46 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 36.9 m -94.92 92.86 7.1 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.961 0.41 . . . . 0.0 110.081 178.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 8' ' ' ARG . 52.5 mtt180 -98.12 -59.46 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.367 -178.284 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 36.2 pt -115.04 6.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.828 -177.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -73.82 117.38 5.7 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.978 -0.63 . . . . 0.0 112.651 -177.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 -7.44 75.69 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.448 178.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' HA3' ' HA ' ' A' ' 61' ' ' MET . . . 138.92 170.77 11.93 Favored Glycine 0 N--CA 1.443 -0.893 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -177.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.409 HD11 ' HB2' ' A' ' 71' ' ' ALA . 29.4 pt -130.66 149.96 34.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.134 0.492 . . . . 0.0 111.242 -178.342 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -94.78 107.85 19.86 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.399 174.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' HB3' ' A' ' 58' ' ' ALA . 28.8 m -102.07 124.11 41.13 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-O 121.054 0.454 . . . . 0.0 111.308 -178.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 5.4 Cg_exo -75.52 110.04 3.02 Favored 'Trans proline' 0 N--CA 1.46 -0.485 0 C-N-CA 122.826 2.351 . . . . 0.0 111.57 176.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 56' ' ' LYS . 14.3 p -105.06 124.38 36.77 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.205 -0.452 . . . . 0.0 109.997 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -48.23 125.88 12.7 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.628 2.219 . . . . 0.0 112.332 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.67 ' HA ' HG13 ' A' ' 22' ' ' VAL . 79.1 mtp180 -61.62 -16.34 47.53 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -79.23 -3.44 45.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.185 176.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.581 ' O ' HG22 ' A' ' 24' ' ' VAL . 26.5 m -145.99 21.32 1.42 Allowed 'General case' 0 C--O 1.235 0.337 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.67 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.1 m -62.68 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.635 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -79.71 -30.25 44.75 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.206 -0.997 . . . . 0.0 111.905 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.581 HG22 ' O ' ' A' ' 21' ' ' SER . 1.0 OUTLIER -59.35 -36.75 65.62 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 15.7 m -82.24 -27.11 9.04 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.131 0 C-N-CA 120.361 -0.536 . . . . 0.0 111.816 -177.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.904 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.22 -29.82 11.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.464 176.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 108.88 179.92 21.34 Favored Glycine 0 N--CA 1.443 -0.847 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.918 173.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.613 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 12.2 ptt180 -75.93 -14.56 60.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.871 0.367 . . . . 0.0 110.669 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 30.2 m -149.49 12.25 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.378 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 84.71 -4.45 84.75 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.307 -0.949 . . . . 0.0 112.82 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 -64.66 -29.54 70.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.307 0.575 . . . . 0.0 110.195 178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 14.0 tpt -70.7 -45.91 64.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.966 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.904 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.8 tp -68.64 -30.12 46.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-O 120.863 0.363 . . . . 0.0 110.357 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 54.4 mtmt -69.19 -27.32 65.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.467 178.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -74.84 -34.37 62.3 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 175.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.625 HD12 HD12 ' A' ' 33' ' ' ILE . 69.7 mt -66.08 -42.71 91.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.53 -0.545 . . . . 0.0 109.53 174.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.72 -43.86 97.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.563 174.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.84 -47.68 74.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.996 -178.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -60.12 -43.12 95.89 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.571 -175.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.49 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -90.85 -23.56 20.52 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.651 -0.42 . . . . 0.0 111.936 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.81 37.51 11.6 Favored Glycine 0 C--O 1.229 -0.17 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.121 -177.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.0 m -123.5 -177.77 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.029 0.442 . . . . 0.0 111.0 -175.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 43' ' ' ARG . 33.8 ttt180 -130.41 122.6 28.08 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.424 171.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.473 HD13 HD11 ' A' ' 74' ' ' ILE . 54.6 mt -108.07 125.68 64.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.056 -176.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -122.4 112.59 18.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.901 0.381 . . . . 0.0 110.842 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.516 ' CE2' HG11 ' A' ' 17' ' ' VAL . 6.3 m-85 -75.61 114.47 14.23 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.383 177.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 47.9 mtpt -76.31 110.51 10.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -89.21 16.47 7.25 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.255 0.55 . . . . 0.0 111.366 -172.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -124.01 59.16 1.15 Allowed 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.82 0.819 . . . . 0.0 108.963 174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.09 117.18 26.53 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.241 -170.187 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -100.98 38.9 2.93 Favored Glycine 0 N--CA 1.444 -0.787 0 N-CA-C 110.574 -1.01 . . . . 0.0 110.574 171.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.0 m -82.45 51.96 1.95 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.399 0.619 . . . . 0.0 111.09 -175.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.54 -120.57 22.82 Favored Glycine 0 N--CA 1.449 -0.497 0 CA-C-N 115.449 -0.796 . . . . 0.0 113.024 177.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.543 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 45.2 Cg_endo -88.44 -3.08 6.76 Favored 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 123.16 2.574 . . . . 0.0 113.144 -176.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.543 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 8.4 mp0 -119.13 160.38 22.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.816 0.817 . . . . 0.0 111.904 -179.138 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.534 ' O ' HG12 ' A' ' 17' ' ' VAL . 2.3 tppp? -111.07 131.88 54.71 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 172.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 57' ' ' ILE . 17.0 mm -78.59 123.53 35.63 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.926 0 CA-C-O 121.853 0.835 . . . . 0.0 110.927 177.332 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.46 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -109.01 119.6 40.03 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.564 -1.198 . . . . 0.0 108.996 176.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -86.74 97.48 10.62 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 -176.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.403 HG21 ' HB3' ' A' ' 70' ' ' ALA . 39.7 mt -85.33 103.48 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 175.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.467 ' HA ' ' HA3' ' A' ' 12' ' ' GLY . 53.7 mtm -104.44 146.06 29.4 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.105 0.478 . . . . 0.0 111.793 -173.234 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 144.95 -157.86 27.44 Favored Glycine 0 N--CA 1.441 -0.989 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.435 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 15.9 Cg_exo -69.16 128.13 16.12 Favored 'Trans proline' 0 N--CA 1.459 -0.55 0 C-N-CA 122.433 2.088 . . . . 0.0 110.955 175.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.531 ' HA ' ' SG ' ' A' ' 67' ' ' CYS . 89.2 Cg_exo -46.11 -45.17 18.43 Favored 'Trans proline' 0 N--CA 1.474 0.341 0 C-N-CA 123.417 2.745 . . . . 0.0 113.887 -170.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -61.18 -31.83 71.57 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.964 0.412 . . . . 0.0 111.035 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.49 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 62.4 mtt-85 -81.13 -35.45 31.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.777 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.531 ' SG ' ' HA ' ' A' ' 64' ' ' PRO . 15.3 p -68.66 -32.23 71.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.171 0.51 . . . . 0.0 110.126 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -75.43 -36.62 60.73 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.725 175.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.417 ' O ' HG13 ' A' ' 73' ' ' ILE . 5.3 t60 -58.68 -49.44 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.411 ' CB ' HG21 ' A' ' 42' ' ' VAL . . . -60.55 -42.71 97.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.907 -1.042 . . . . 0.0 110.879 178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.409 ' HB2' HD11 ' A' ' 13' ' ' ILE . . . -57.11 -41.22 78.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.111 177.184 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -66.89 -33.91 76.64 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.949 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.417 HG13 ' O ' ' A' ' 69' ' ' HIS . 72.6 mt -65.03 -43.43 96.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.416 179.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.548 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 72.8 mt -68.76 -40.41 81.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.166 177.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.55 -50.7 72.24 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.516 178.132 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -63.08 -34.85 78.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.207 0.527 . . . . 0.0 110.717 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 15.2 tp -62.97 -43.27 99.26 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.246 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.548 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 21.1 mt -64.4 -44.54 90.95 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.437 0.637 . . . . 0.0 110.223 176.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 54.1 tp60 -62.1 -30.45 71.02 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.986 -1.007 . . . . 0.0 111.575 -177.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 31.4 m -74.46 -17.71 60.74 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.967 0.413 . . . . 0.0 110.954 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.509 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 31.8 mt -89.25 -58.7 2.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.343 -179.685 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 69.66 113.29 0.05 OUTLIER 'General case' 0 C--O 1.236 0.384 0 O-C-N 124.314 1.009 . . . . 0.0 110.809 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.6 t -82.08 76.9 8.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.129 -176.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.27 -133.19 1.52 Allowed Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.82 120.33 7.49 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.59 2.193 . . . . 0.0 111.352 176.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -72.08 71.15 2.91 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.665 2.244 . . . . 0.0 112.359 -178.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 92.98 -122.14 6.82 Favored Glycine 0 N--CA 1.444 -0.799 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.569 -178.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.405 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 73.5 Cg_endo -80.47 125.62 5.74 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.696 2.264 . . . . 0.0 112.64 179.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 30.7 Cg_exo -62.74 143.57 92.33 Favored 'Trans proline' 0 C--O 1.234 0.318 0 C-N-CA 122.617 2.212 . . . . 0.0 110.756 173.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 74.8 -76.53 1.18 Allowed Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.827 -0.702 . . . . 0.0 111.6 -173.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 120.02 106.03 2.11 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.079 -0.582 . . . . 0.0 112.154 177.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -61.42 125.17 16.2 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.646 2.231 . . . . 0.0 111.73 178.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -103.2 113.24 4.47 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.33 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.451 ' HA ' ' HD3' ' A' ' 95' ' ' PRO . 20.7 ptm -100.2 122.65 49.53 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-O 120.898 0.38 . . . . 0.0 110.912 -179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 4.5 Cg_exo -80.53 136.28 10.92 Favored 'Trans proline' 0 N--CA 1.46 -0.447 0 C-N-CA 123.212 2.608 . . . . 0.0 112.078 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 2.2 Cg_endo -85.92 24.62 0.74 Allowed 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 123.513 2.808 . . . . 0.0 112.595 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 151.62 151.75 5.7 Favored Glycine 0 N--CA 1.447 -0.6 0 C-N-CA 120.916 -0.659 . . . . 0.0 111.964 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -93.03 139.88 14.81 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.924 179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 99' ' ' ARG . 19.2 mmt180 -88.88 55.58 3.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.398 0.618 . . . . 0.0 110.953 -176.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -129.35 87.74 0.31 Allowed Glycine 0 N--CA 1.448 -0.512 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.101 176.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 64.0 ttt180 -114.7 120.48 40.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.708 0.289 . . . . 0.0 110.512 -175.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . 167.51 -64.55 0.2 Allowed Glycine 0 C--N 1.321 -0.28 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -178.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -75.14 -44.44 46.9 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 170.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -140.78 -125.22 2.13 Favored Glycine 0 N--CA 1.443 -0.894 0 CA-C-N 114.59 -1.186 . . . . 0.0 110.147 173.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -165.15 95.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.113 0.482 . . . . 0.0 110.63 176.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.42 0 C-N-CA 120.591 -0.814 . . . . 0.0 112.316 178.501 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.613 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.424 -0.971 0 C4'-C3'-C2' 101.361 -1.339 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.635 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.914 0 O4'-C1'-C2' 108.257 1.326 . 0.052 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.717 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C4'-C3'-C2' 105.725 3.025 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.717 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.813 0 P-O3'-C3' 122.653 2.461 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.903 1 C4'-C3'-C2' 106.837 4.137 . 0.123 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.605 0 N-CA-C 111.803 -0.519 . . . . 0.0 111.803 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.37 130.03 52.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.786 0.327 . . . . 0.0 110.631 -179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.4 ttt -115.78 137.26 52.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.388 -179.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -93.12 104.29 16.5 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.154 178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.15 92.08 5.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.591 179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -77.65 70.78 2.42 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.734 -0.666 . . . . 0.0 112.349 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.0 m -67.22 -35.02 78.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.98 0.419 . . . . 0.0 110.599 178.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -114.9 95.53 5.26 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.735 179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.7 tt -112.71 117.25 54.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.257 0.551 . . . . 0.0 110.804 -178.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -171.88 163.78 36.29 Favored Glycine 0 N--CA 1.447 -0.587 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 179.09 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.41 ' N ' ' HG3' ' A' ' 64' ' ' PRO . . . -69.7 89.84 0.3 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.136 179.094 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 61' ' ' MET . . . 94.63 108.49 2.14 Favored Glycine 0 N--CA 1.444 -0.782 0 N-CA-C 111.2 -0.76 . . . . 0.0 111.2 -177.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 41.6 pt -125.92 154.59 35.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-O 120.96 0.409 . . . . 0.0 110.618 -175.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.511 ' HB2' HG23 ' A' ' 57' ' ' ILE . 6.4 p-10 -99.14 123.42 43.42 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.061 0.458 . . . . 0.0 109.785 174.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.547 HG23 ' HB3' ' A' ' 58' ' ' ALA . 22.1 m -112.11 124.21 32.69 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.032 -178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 13.2 Cg_exo -70.02 128.98 16.55 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 123.046 2.497 . . . . 0.0 111.795 176.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.522 HG11 ' CE2' ' A' ' 46' ' ' PHE . 8.2 p -128.84 117.75 19.51 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.152 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.426 ' HG2' ' HB2' ' A' ' 21' ' ' SER . 7.1 Cg_endo -48.37 133.38 25.23 Favored 'Trans proline' 0 N--CA 1.464 -0.221 0 C-N-CA 122.873 2.382 . . . . 0.0 112.465 -179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.627 ' HA ' HG13 ' A' ' 22' ' ' VAL . 57.5 mtp180 -66.49 -16.79 64.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -80.95 -0.39 39.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.236 174.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.587 ' O ' HG22 ' A' ' 24' ' ' VAL . 45.3 m -145.62 20.57 1.5 Allowed 'General case' 0 CA--C 1.537 0.447 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.627 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.1 m -63.4 -48.58 86.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 -178.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.584 ' O ' HG13 ' A' ' 26' ' ' ILE . . . -80.8 -27.57 49.99 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.162 -1.018 . . . . 0.0 111.881 -178.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG12 " H1'" ' B' ' 1' ' ' ' A' . 1.0 OUTLIER -58.35 -39.34 73.88 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 178.413 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 35.5 m -80.89 -27.07 11.0 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.738 -178.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.806 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 0.9 OUTLIER -81.28 -26.02 10.39 Favored 'Isoleucine or valine' 0 C--O 1.233 0.205 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.556 176.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.9 165.46 34.24 Favored Glycine 0 N--CA 1.445 -0.725 0 N-CA-C 111.382 -0.687 . . . . 0.0 111.382 179.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.689 ' HB3' H5'' ' B' ' 1' ' ' ' A' . 9.8 ptm180 -65.83 -17.32 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 117.127 0.463 . . . . 0.0 111.444 -177.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.8 m -139.16 16.21 2.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.82 0.343 . . . . 0.0 111.298 -175.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.587 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.74 -7.89 24.38 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.596 -0.812 . . . . 0.0 113.059 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.492 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 72.5 mm-40 -54.66 -31.44 57.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.431 . . . . 0.0 110.933 178.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.52 ' O ' HG13 ' A' ' 36' ' ' ILE . 13.6 tpt -74.96 -44.27 49.37 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.193 -174.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.806 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 19.7 tt -74.63 -28.02 21.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.308 -0.557 . . . . 0.0 110.684 -178.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.7 mtmt -66.15 -30.87 71.44 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.613 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HB3' ' O ' ' A' ' 32' ' ' MET . 23.6 ttmm -69.36 -39.98 77.76 Favored 'General case' 0 C--O 1.223 -0.3 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.973 172.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 32' ' ' MET . 58.9 mt -61.97 -46.84 95.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 178.087 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.552 ' HG2' HG13 ' A' ' 44' ' ' ILE . 27.1 mt-30 -62.87 -39.75 95.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.37 176.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -65.71 -56.18 13.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.598 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -63.86 -33.42 75.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.783 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.414 ' HB3' HG22 ' A' ' 42' ' ' VAL . . . -92.32 -21.83 20.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -177.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.28 34.16 46.79 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 121.088 -0.577 . . . . 0.0 112.472 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.533 HG13 ' HB3' ' A' ' 66' ' ' ARG . 15.4 m -122.41 175.55 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.457 0.646 . . . . 0.0 112.079 -174.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 18.3 tpp180 -114.71 109.94 18.98 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.135 174.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.552 HG13 ' HG2' ' A' ' 37' ' ' GLN . 8.7 mt -114.41 122.59 68.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.616 0.246 . . . . 0.0 110.513 -176.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -129.24 133.14 47.38 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.232 0.539 . . . . 0.0 110.626 175.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.522 ' CE2' HG11 ' A' ' 17' ' ' VAL . 4.4 m-85 -83.64 125.94 32.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.524 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD3' ' HB ' ' A' ' 57' ' ' ILE . 46.0 mtpt -78.33 175.04 10.62 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.493 0.663 . . . . 0.0 110.339 177.046 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -138.64 64.35 1.49 Allowed 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 171.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.485 ' O ' HG23 ' A' ' 52' ' ' THR . 4.7 m-20 -50.9 129.57 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.388 -1.278 . . . . 0.0 110.53 -179.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -74.68 87.89 2.2 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 178.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 117.41 67.85 0.37 Allowed Glycine 0 N--CA 1.444 -0.813 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 49' ' ' ASP . 20.0 p -97.74 134.34 41.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.015 0.436 . . . . 0.0 111.274 -177.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.431 ' O ' ' HD3' ' A' ' 19' ' ' ARG . . . -86.04 -113.1 0.82 Allowed Glycine 0 N--CA 1.446 -0.662 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.88 178.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -84.09 -33.09 0.34 Allowed 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.428 2.085 . . . . 0.0 112.047 178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -113.9 162.48 16.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.782 0.801 . . . . 0.0 111.68 -173.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.415 ' HB3' HG13 ' A' ' 17' ' ' VAL . 3.3 tppp? -111.25 154.29 24.67 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 169.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.511 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.9 mm -98.0 126.32 51.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.894 0 C-N-CA 119.727 -0.789 . . . . 0.0 110.793 175.531 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.547 ' HB3' HG23 ' A' ' 15' ' ' VAL . . . -110.68 122.54 48.04 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.008 175.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.7 t-160 -93.91 98.93 11.38 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.941 -0.303 . . . . 0.0 110.406 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.453 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 49.8 mt -86.06 105.71 14.83 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.957 176.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.526 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 56.7 mtm -104.28 135.98 44.74 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 120.79 0.329 . . . . 0.0 111.621 -177.109 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 149.12 -162.68 29.02 Favored Glycine 0 N--CA 1.442 -0.952 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.652 175.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.493 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 39.4 Cg_exo -58.79 134.94 63.72 Favored 'Trans proline' 0 C--O 1.233 0.234 0 C-N-CA 122.6 2.2 . . . . 0.0 110.799 176.569 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.528 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 74.0 Cg_exo -55.27 -35.3 91.0 Favored 'Trans proline' 0 N--CA 1.472 0.234 0 C-N-CA 123.934 3.089 . . . . 0.0 113.77 -172.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -67.52 -40.58 85.12 Favored 'General case' 0 CA--C 1.517 -0.309 0 CA-C-O 121.249 0.547 . . . . 0.0 110.402 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.533 ' HB3' HG13 ' A' ' 42' ' ' VAL . 94.2 mtt180 -67.06 -30.67 70.8 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.737 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 73.5 m -65.34 -44.24 88.38 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.316 176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 33.5 mt-10 -62.27 -44.64 96.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.346 0.594 . . . . 0.0 110.118 176.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.426 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -56.36 -47.95 77.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.309 176.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' HB2' HG21 ' A' ' 42' ' ' VAL . . . -64.47 -42.43 95.91 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.35 -0.841 . . . . 0.0 111.308 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.2 88.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.703 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 72' ' ' ARG . 11.2 ttm180 -58.82 -46.45 87.62 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.806 179.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.433 ' HB ' HG23 ' A' ' 36' ' ' ILE . 54.2 mt -59.32 -54.3 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.301 -176.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.509 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 99.4 mt -62.16 -45.38 98.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 111.161 -178.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.61 ' HA ' HD12 ' A' ' 78' ' ' LEU . 6.2 t-20 -70.81 -45.12 65.17 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.88 -172.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.35 -28.57 68.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.277 0.56 . . . . 0.0 110.128 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 44.5 tp -62.4 -46.92 86.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.657 173.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.61 HD12 ' HA ' ' A' ' 75' ' ' ASN . 24.2 mt -58.05 -44.47 87.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.442 0.639 . . . . 0.0 110.256 175.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -63.98 -40.37 96.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.869 -1.06 . . . . 0.0 111.662 -176.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.0 p -76.55 -16.0 59.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.621 0.248 . . . . 0.0 111.581 -175.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 53.3 mt -72.34 -23.5 61.15 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-O 121.097 0.475 . . . . 0.0 110.289 176.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -82.71 90.81 6.9 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.134 -175.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.7 p -67.51 -50.61 58.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.189 -177.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 141.98 -125.39 2.69 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.607 178.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -64.76 119.98 7.13 Favored 'Trans proline' 0 C--N 1.344 0.299 0 C-N-CA 123.164 2.576 . . . . 0.0 112.666 -176.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -84.94 52.47 3.42 Favored 'Trans proline' 0 N--CA 1.457 -0.624 0 C-N-CA 123.378 2.718 . . . . 0.0 112.21 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -99.08 -166.2 30.18 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 178.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.43 112.64 1.64 Allowed 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.712 2.275 . . . . 0.0 111.923 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -91.77 58.81 0.91 Allowed 'Trans proline' 0 N--CA 1.456 -0.709 0 C-N-CA 123.197 2.598 . . . . 0.0 112.502 -176.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.2 31.15 26.26 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.61 -0.805 . . . . 0.0 111.706 -178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 139.92 107.83 0.74 Allowed Glycine 0 N--CA 1.443 -0.839 0 N-CA-C 111.372 -0.691 . . . . 0.0 111.372 -176.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -71.26 79.01 1.47 Allowed 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 122.63 2.22 . . . . 0.0 111.979 178.329 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -78.38 72.33 2.36 Favored Glycine 0 N--CA 1.451 -0.348 0 CA-C-N 115.983 -0.553 . . . . 0.0 113.263 -177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.451 ' N ' ' HD3' ' A' ' 95' ' ' PRO . 19.9 ptp -155.57 63.05 3.47 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-O 121.093 0.473 . . . . 0.0 110.373 174.21 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.572 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 38.6 Cg_exo -60.68 -56.64 0.91 Allowed 'Trans proline' 0 CA--C 1.543 0.945 0 C-N-CA 122.669 2.246 . . . . 0.0 113.877 -179.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.572 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 89.4 Cg_endo -84.58 64.68 6.66 Favored 'Trans proline' 0 C--N 1.36 1.146 0 C-N-CA 121.691 1.594 . . . . 0.0 112.147 -177.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 88.83 -100.23 2.63 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.926 -0.654 . . . . 0.0 112.281 178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 132.2 -117.45 2.05 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.891 -0.671 . . . . 0.0 112.591 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -150.9 109.77 3.88 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.708 0.289 . . . . 0.0 110.234 -178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -143.49 167.72 26.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.43 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -99.79 72.44 1.73 Allowed 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -80.54 76.53 2.09 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.795 -173.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -164.71 120.36 1.45 Allowed 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 171.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 141.17 77.29 0.05 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.955 -0.641 . . . . 0.0 111.714 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -157.11 136.5 12.09 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 -176.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.395 -179.697 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.689 H5'' ' HB3' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 O4'-C4'-C3' 103.398 -1.502 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.539 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 103.291 1.99 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.819 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 105.893 3.193 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.819 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 P-O3'-C3' 122.184 2.07 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.566 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.873 4.173 . 0.193 1[ . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 N-CA-C 111.761 -0.536 . . . . 0.0 111.761 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.11 -68.06 0.69 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.886 0.375 . . . . 0.0 110.962 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.9 mtp -111.16 123.3 49.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.358 -178.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -157.35 -59.87 0.09 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.499 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -155.89 162.42 40.42 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.843 178.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.54 59.73 2.2 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.275 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 12.5 p -79.47 -37.83 35.98 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.955 0.407 . . . . 0.0 111.388 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -149.4 49.11 0.96 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.17 0.51 . . . . 0.0 110.827 -177.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.807 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -79.5 68.1 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.396 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -128.56 72.38 0.47 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.748 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 91.31 -6.04 80.94 Favored Glycine 0 CA--C 1.516 0.149 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.62 177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 163.86 142.35 3.38 Favored Glycine 0 N--CA 1.443 -0.896 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 178.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 HG12 ' HB3' ' A' ' 67' ' ' CYS . 32.9 pt -126.44 142.19 43.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.51 ' HB2' ' CG2' ' A' ' 57' ' ' ILE . 5.1 p-10 -94.79 126.58 40.2 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.252 0.549 . . . . 0.0 110.167 176.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.499 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 30.8 m -110.5 133.7 21.06 Favored Pre-proline 0 C--N 1.32 -0.686 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.972 -176.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.499 ' HD3' ' HA ' ' A' ' 15' ' ' VAL . 8.9 Cg_endo -88.74 103.12 0.41 Allowed 'Trans proline' 0 N--CA 1.452 -0.96 0 C-N-CA 123.419 2.746 . . . . 0.0 111.908 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG23 HD21 ' A' ' 78' ' ' LEU . 12.4 p -99.65 120.97 56.15 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.317 178.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 99.2 Cg_exo -42.65 131.39 5.41 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 123.089 2.526 . . . . 0.0 112.425 179.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.566 ' HA ' HG13 ' A' ' 22' ' ' VAL . 30.6 mtm180 -67.13 -17.24 64.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.435 -173.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -90.29 7.26 39.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.046 0.451 . . . . 0.0 110.643 175.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.645 ' O ' HG22 ' A' ' 24' ' ' VAL . 20.6 m -136.16 17.06 3.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.072 0.463 . . . . 0.0 110.913 178.468 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.566 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.6 m -63.29 -44.44 99.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.702 -178.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.504 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -77.46 -32.55 46.67 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.401 -0.904 . . . . 0.0 111.704 -179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG22 ' O ' ' A' ' 21' ' ' SER . 1.1 m -58.07 -38.02 65.01 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 CA-C-N 116.706 0.253 . . . . 0.0 111.626 179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 77' ' ' LEU . 6.8 m -83.22 -29.29 7.94 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 120.494 -0.482 . . . . 0.0 111.889 -177.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.796 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.2 pp -82.6 -25.0 8.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.843 177.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.09 -176.85 23.9 Favored Glycine 0 N--CA 1.446 -0.633 0 CA-C-N 116.059 -0.519 . . . . 0.0 112.748 173.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 37.4 ptt180 -65.74 -24.99 67.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 51.9 m -152.37 26.14 0.6 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.338 -172.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.634 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 75.62 -8.2 21.74 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.514 -0.85 . . . . 0.0 113.079 -178.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -59.57 -22.38 61.67 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.118 0.485 . . . . 0.0 110.603 178.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.2 tpt -83.04 -44.86 14.73 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.124 -175.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.796 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.8 tt -70.77 -26.14 27.54 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.126 0 C-N-CA 120.344 -0.542 . . . . 0.0 110.085 179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -65.1 -31.66 72.97 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 173.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -71.48 -39.18 71.06 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 175.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.443 HD13 HG12 ' A' ' 74' ' ' ILE . 52.7 mt -59.88 -43.31 91.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.14 -48.77 74.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.484 176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 67.1 t30 -69.95 -45.61 67.06 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.023 0.44 . . . . 0.0 111.606 -174.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.06 -35.11 79.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.004 -0.543 . . . . 0.0 111.2 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.76 -21.46 18.13 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.47 42.84 13.51 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.231 -0.509 . . . . 0.0 112.196 -179.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.95 173.12 12.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.316 0.579 . . . . 0.0 112.129 -173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 -117.68 103.42 10.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.853 177.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 60' ' ' ILE . 51.0 mt -105.79 118.52 53.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-O 120.923 0.392 . . . . 0.0 110.848 -175.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -138.18 128.65 26.3 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.177 -0.465 . . . . 0.0 109.869 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.637 ' HA ' ' HA ' ' A' ' 58' ' ' ALA . 77.0 m-85 -62.29 130.4 45.14 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.487 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.527 ' HD3' HG22 ' A' ' 57' ' ' ILE . 26.5 mtpp -70.32 -64.31 0.92 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.594 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 36.5 tp60 -166.71 159.3 13.8 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -88.51 66.25 8.17 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.362 0.601 . . . . 0.0 110.332 177.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -76.09 139.11 41.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.043 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.96 32.02 5.89 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.85 -0.691 . . . . 0.0 111.923 -179.065 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.13 -15.7 46.26 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.191 0.52 . . . . 0.0 110.13 -178.109 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.93 168.49 32.37 Favored Glycine 0 N--CA 1.448 -0.562 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 178.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.15 5.77 5.78 Favored 'Trans proline' 0 CA--C 1.53 0.311 0 C-N-CA 122.667 2.244 . . . . 0.0 112.883 -179.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.7 mp0 -112.52 166.14 11.6 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.131 0.491 . . . . 0.0 110.56 177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.487 ' HE3' ' HG2' ' A' ' 19' ' ' ARG . 2.5 tppp? -110.96 116.45 31.22 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 177.455 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.527 HG22 ' HD3' ' A' ' 47' ' ' LYS . 13.3 mm -77.99 108.01 10.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-O 121.49 0.662 . . . . 0.0 112.459 -176.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.637 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -103.25 131.48 50.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.294 173.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -93.59 104.54 16.65 Favored 'General case' 0 C--N 1.319 -0.722 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.618 -175.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.492 HG12 HG12 ' A' ' 44' ' ' ILE . 51.6 mt -83.97 104.03 11.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.812 175.226 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.3 mtm -101.55 150.6 22.91 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 120.918 0.39 . . . . 0.0 111.645 -175.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 136.74 -163.39 25.24 Favored Glycine 0 N--CA 1.44 -1.092 0 C-N-CA 120.941 -0.647 . . . . 0.0 111.634 178.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.479 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 33.3 Cg_exo -59.87 130.81 36.46 Favored 'Trans proline' 0 N--CA 1.463 -0.298 0 C-N-CA 122.271 1.98 . . . . 0.0 110.524 175.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.807 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 66.6 Cg_exo -54.51 -35.64 86.18 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.847 3.032 . . . . 0.0 113.601 -173.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.97 -32.28 69.08 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.899 0.381 . . . . 0.0 110.121 179.112 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 96.3 mtt180 -73.27 -34.44 65.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.561 175.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . 0.468 ' HB3' HG12 ' A' ' 13' ' ' ILE . 70.0 m -60.93 -39.27 88.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.937 177.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 72' ' ' ARG . 45.5 mt-10 -61.23 -50.14 74.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.367 174.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.475 ' O ' HG13 ' A' ' 73' ' ' ILE . 3.4 t-160 -54.55 -48.73 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.722 178.311 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.63 96.99 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.477 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -61.27 -41.38 96.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.935 178.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 68' ' ' GLU . 96.9 mtt180 -62.7 -35.0 78.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.301 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 69' ' ' HIS . 70.8 mt -65.86 -45.15 92.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.74 0.305 . . . . 0.0 110.566 178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.443 HG12 HD13 ' A' ' 36' ' ' ILE . 90.0 mt -69.6 -42.85 80.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.327 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.409 HD22 ' HA ' ' A' ' 75' ' ' ASN . 8.4 m120 -58.68 -51.46 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.282 178.269 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -55.87 -39.71 71.9 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 120.985 0.421 . . . . 0.0 111.305 177.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.685 HD23 ' HA ' ' A' ' 25' ' ' VAL . 18.7 tp -66.63 -45.03 80.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.609 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 17' ' ' VAL . 33.7 mt -62.36 -42.05 99.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.858 0.837 . . . . 0.0 109.904 174.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -64.6 -20.65 66.39 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.441 -1.254 . . . . 0.0 111.102 -177.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 27.8 t -72.76 -17.33 61.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.053 0.454 . . . . 0.0 109.924 177.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 HG21 ' A' ' 24' ' ' VAL . 22.8 mt -101.61 -7.98 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.028 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -67.49 -39.21 85.21 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.215 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 p -134.17 142.64 47.51 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.994 178.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 162.85 167.88 23.93 Favored Glycine 0 N--CA 1.446 -0.668 0 N-CA-C 111.634 -0.586 . . . . 0.0 111.634 -178.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.507 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 57.0 Cg_exo -52.42 -48.29 22.6 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 123.186 2.591 . . . . 0.0 113.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.507 ' HD3' ' HB2' ' A' ' 85' ' ' PRO . 2.6 Cg_endo -83.05 26.11 0.66 Allowed 'Trans proline' 0 C--N 1.355 0.9 0 C-N-CA 122.119 1.879 . . . . 0.0 112.128 176.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -132.31 -164.76 11.09 Favored Glycine 0 N--CA 1.445 -0.746 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.462 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 75.6 Cg_endo -83.0 124.4 3.84 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.725 2.284 . . . . 0.0 112.553 -179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 88' ' ' PRO . 15.8 Cg_exo -69.62 -25.69 28.96 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.053 2.502 . . . . 0.0 112.002 175.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -118.16 -176.32 16.9 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.906 -0.664 . . . . 0.0 111.478 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.94 170.82 21.03 Favored Glycine 0 N--CA 1.444 -0.785 0 C-N-CA 120.356 -0.926 . . . . 0.0 112.458 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.81 62.0 6.41 Favored 'Trans proline' 0 N--CA 1.464 -0.248 0 C-N-CA 123.484 2.789 . . . . 0.0 111.976 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -178.85 67.59 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.173 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 16.6 ptp -146.46 88.88 6.01 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-O 121.124 0.487 . . . . 0.0 110.745 177.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HB2' ' HD3' ' A' ' 96' ' ' PRO . 88.4 Cg_exo -48.21 -47.67 18.99 Favored 'Trans proline' 0 CA--C 1.54 0.793 0 C-N-CA 123.224 2.616 . . . . 0.0 113.782 177.381 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.429 ' HD3' ' HB2' ' A' ' 95' ' ' PRO . 73.6 Cg_endo -75.3 65.27 6.33 Favored 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 121.72 1.613 . . . . 0.0 111.852 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -63.83 129.58 38.81 Favored Glycine 0 N--CA 1.447 -0.612 0 CA-C-N 115.601 -0.727 . . . . 0.0 112.106 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 89.82 -6.6 82.82 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.036 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -116.66 -35.5 4.19 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.087 0.47 . . . . 0.0 110.282 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.39 -141.36 19.72 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.248 176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -98.57 126.26 44.08 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.063 0.459 . . . . 0.0 110.171 178.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -83.4 -9.37 83.7 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.723 176.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 46.4 ttp85 -125.02 104.61 8.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.957 0.408 . . . . 0.0 110.278 178.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 119.84 119.98 2.81 Favored Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.637 -0.71 . . . . 0.0 112.662 177.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -101.0 35.1 2.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.818 0.342 . . . . 0.0 110.419 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.639 -179.571 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.511 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C3'-C2'-C1' 100.515 -1.095 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.504 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -0.975 0 O4'-C1'-C2' 107.886 1.061 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.763 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 105.584 2.884 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.763 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 P-O3'-C3' 122.605 2.421 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.643 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.423 -1.045 1 C4'-C3'-C2' 106.772 4.072 . 0.193 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.77 -0.532 . . . . 0.0 111.77 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.75 -15.97 59.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.781 0.324 . . . . 0.0 111.689 -176.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 26.0 ttt -102.68 24.21 10.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.604 0.716 . . . . 0.0 110.097 -178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.56 79.15 8.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -135.24 92.12 2.82 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.779 178.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 114.25 112.99 3.01 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.897 -0.668 . . . . 0.0 112.198 -179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 4.9 p -91.63 78.93 5.49 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.451 0.643 . . . . 0.0 110.293 179.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 -94.47 103.91 15.88 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.678 -178.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 ' O ' ' HB3' ' A' ' 64' ' ' PRO . 12.4 pt -100.65 73.94 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.389 0.614 . . . . 0.0 110.608 178.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -92.08 -146.25 17.88 Favored Glycine 0 N--CA 1.45 -0.408 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.122 179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -84.11 19.95 15.25 Favored Glycine 0 C--N 1.33 0.217 0 C-N-CA 121.021 -0.609 . . . . 0.0 112.682 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.541 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 179.31 103.64 0.17 Allowed Glycine 0 N--CA 1.442 -0.92 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.5 pt -104.92 148.64 9.17 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-O 120.704 0.288 . . . . 0.0 110.976 -174.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -96.69 107.26 19.68 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.787 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -102.41 123.47 42.87 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-O 120.904 0.383 . . . . 0.0 110.915 -179.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 84.2 Cg_endo -80.6 127.9 6.64 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 122.809 2.339 . . . . 0.0 112.284 177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.743 HG23 HD21 ' A' ' 78' ' ' LEU . 7.2 p -123.13 123.43 26.69 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.358 -178.298 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.406 ' HD2' HD22 ' A' ' 78' ' ' LEU . 98.3 Cg_exo -44.74 128.62 8.88 Favored 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.75 2.3 . . . . 0.0 112.397 176.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.674 ' HA ' HG13 ' A' ' 22' ' ' VAL . 78.9 mtp180 -65.33 -19.56 66.01 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.941 -174.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -87.02 11.04 14.62 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.124 0.487 . . . . 0.0 110.349 175.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 24' ' ' VAL . 33.3 m -142.02 16.68 2.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.073 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 19' ' ' ARG . 3.6 m -63.4 -42.6 96.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.99 -0.284 . . . . 0.0 111.346 -179.272 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.587 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -80.95 -32.08 33.51 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 120.313 -0.946 . . . . 0.0 112.173 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.65 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -57.48 -36.78 54.72 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.482 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 10.7 m -82.55 -28.27 8.69 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.107 0 C-N-CA 120.543 -0.463 . . . . 0.0 111.753 -177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.868 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.2 pp -82.28 -34.79 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.795 0.331 . . . . 0.0 110.885 178.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 116.35 -179.32 17.72 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 121.074 -0.584 . . . . 0.0 112.699 175.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.778 ' HB2' H5'' ' B' ' 1' ' ' ' A' . 19.0 ttp85 -87.87 -18.4 29.32 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.719 0.771 . . . . 0.0 109.747 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 32.8 t -132.46 9.52 4.35 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.771 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.672 ' O ' ' HG3' ' A' ' 34' ' ' LYS . . . 75.39 14.06 82.3 Favored Glycine 0 N--CA 1.443 -0.899 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.31 -174.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.489 ' HA ' ' CE ' ' A' ' 34' ' ' LYS . 0.9 OUTLIER -78.57 -26.91 45.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.282 0.563 . . . . 0.0 109.999 -176.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.5 tpt -73.8 -47.17 40.68 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.174 -175.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.868 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 16.6 tt -70.79 -23.37 23.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.533 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.672 ' HG3' ' O ' ' A' ' 30' ' ' GLY . 40.5 mtmt -63.9 -34.1 77.2 Favored 'General case' 0 C--O 1.223 -0.326 0 N-CA-C 109.932 -0.396 . . . . 0.0 109.932 174.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -69.73 -36.87 76.22 Favored 'General case' 0 C--O 1.22 -0.485 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.176 175.293 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.497 HG23 ' HB ' ' A' ' 73' ' ' ILE . 34.5 mt -63.71 -43.26 97.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.201 0.524 . . . . 0.0 109.646 178.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 28.1 mt-30 -68.54 -36.4 78.75 Favored 'General case' 0 C--O 1.225 -0.215 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.106 175.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.7 -51.66 32.49 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.512 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.18 -30.35 69.42 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.724 -175.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.572 ' O ' ' HD3' ' A' ' 66' ' ' ARG . . . -98.45 -22.4 16.06 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.423 -0.511 . . . . 0.0 112.153 -178.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.16 27.22 60.38 Favored Glycine 0 CA--C 1.52 0.392 0 C-N-CA 121.071 -0.585 . . . . 0.0 112.638 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.421 HG21 ' CB ' ' A' ' 70' ' ' ALA . 31.3 m -112.85 171.97 3.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.117 0.484 . . . . 0.0 111.234 -176.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 27.4 ttt180 -111.8 105.2 13.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.248 173.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.432 HD11 ' HB1' ' A' ' 70' ' ' ALA . 55.1 mt -99.69 111.62 29.82 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.863 -179.137 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -115.98 108.58 16.42 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.971 -178.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.498 ' CE2' HG11 ' A' ' 17' ' ' VAL . 3.2 m-85 -65.38 132.53 49.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.531 -0.759 . . . . 0.0 111.049 178.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.531 ' HE3' ' CG2' ' A' ' 57' ' ' ILE . 6.8 mtmp? -79.85 118.44 21.62 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.578 -0.897 . . . . 0.0 108.578 174.622 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -78.89 13.18 1.82 Allowed 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -171.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -170.8 114.89 0.44 Allowed 'General case' 0 N--CA 1.463 0.179 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 177.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.501 ' HB3' ' NZ ' ' A' ' 47' ' ' LYS . 3.2 p30 -164.22 -38.44 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.796 173.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.71 52.61 15.08 Favored Glycine 0 N--CA 1.452 -0.247 0 O-C-N 123.606 0.566 . . . . 0.0 112.223 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -74.56 68.95 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.534 0.683 . . . . 0.0 111.122 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 79.53 -129.78 9.39 Favored Glycine 0 N--CA 1.442 -0.908 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -90.21 17.62 1.48 Allowed 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.872 2.381 . . . . 0.0 111.807 175.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -126.67 163.59 23.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.514 0.673 . . . . 0.0 111.775 -177.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -119.98 148.8 43.09 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.324 -1.307 . . . . 0.0 107.842 173.272 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 ' CG2' ' HE3' ' A' ' 47' ' ' LYS . 35.5 mm -97.72 129.4 47.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.829 0.823 . . . . 0.0 111.573 178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -115.87 125.75 53.05 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.023 176.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -92.61 98.96 11.77 Favored 'General case' 0 C--N 1.318 -0.765 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.356 -175.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.541 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 57.5 mt -83.25 103.85 11.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.22 178.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . 0.536 ' HA ' ' HA2' ' A' ' 12' ' ' GLY . 49.4 mtm -105.22 150.88 24.73 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.73 -174.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.61 -156.39 25.27 Favored Glycine 0 N--CA 1.444 -0.788 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.446 ' HG2' ' HD2' ' A' ' 66' ' ' ARG . 21.1 Cg_exo -67.45 128.29 17.99 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.067 1.845 . . . . 0.0 110.215 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.455 ' HB3' ' O ' ' A' ' 9' ' ' ILE . 84.9 Cg_exo -49.64 -35.13 37.04 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 124.148 3.232 . . . . 0.0 113.842 -171.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.73 -37.21 70.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.644 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 40' ' ' ALA . 45.9 mtt180 -72.32 -30.84 65.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.002 177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 71.6 m -59.64 -34.77 73.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.597 175.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -76.75 -35.92 57.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.666 -0.243 . . . . 0.0 111.46 177.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.8 t-160 -57.72 -48.6 79.13 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 172.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.471 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -65.15 -41.32 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.775 -1.102 . . . . 0.0 111.105 179.241 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.54 -45.39 77.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.561 176.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.1 ttm180 -62.44 -40.74 97.57 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.284 -177.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.497 ' HB ' HG23 ' A' ' 36' ' ' ILE . 61.5 mt -60.9 -47.01 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.506 HD12 HD11 ' A' ' 60' ' ' ILE . 82.5 mt -69.96 -44.31 78.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.847 0.356 . . . . 0.0 110.536 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.14 -49.25 78.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.574 -177.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -65.06 -35.16 80.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.983 0.421 . . . . 0.0 110.649 -178.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 27.7 tp -60.32 -47.94 83.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.352 176.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.743 HD21 HG23 ' A' ' 17' ' ' VAL . 37.1 mt -61.06 -45.24 95.57 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.415 0.626 . . . . 0.0 110.408 176.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -65.77 -27.63 68.43 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.824 -1.08 . . . . 0.0 112.041 -174.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -83.76 -19.85 34.4 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.974 -0.29 . . . . 0.0 111.179 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 45.5 mt -90.83 -53.51 4.37 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.897 0.38 . . . . 0.0 110.38 178.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 82' ' ' ARG . 50.9 mtm180 67.92 -81.1 0.03 OUTLIER 'General case' 0 C--O 1.232 0.169 0 CA-C-N 114.701 -1.136 . . . . 0.0 111.553 -178.632 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.7 m -112.33 148.43 34.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.413 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.414 ' O ' ' HD3' ' A' ' 86' ' ' PRO . . . -97.14 163.78 22.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.363 -178.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -81.64 108.25 1.88 Allowed 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 123.39 2.727 . . . . 0.0 112.165 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.414 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 60.9 Cg_endo -75.19 115.3 4.22 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.514 2.143 . . . . 0.0 111.835 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -152.58 -150.32 5.36 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.977 -0.63 . . . . 0.0 111.81 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HB3' ' HB3' ' A' ' 92' ' ' PRO . 35.9 Cg_exo -60.84 115.28 2.59 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 122.837 2.358 . . . . 0.0 111.874 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -71.77 91.24 0.71 Allowed 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.601 2.201 . . . . 0.0 112.315 -178.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.55 -67.45 3.45 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 121.01 -0.614 . . . . 0.0 112.058 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.36 121.43 1.25 Allowed Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 121.009 -0.615 . . . . 0.0 111.816 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.438 ' HB3' ' HB3' ' A' ' 88' ' ' PRO . 67.8 Cg_endo -74.7 77.11 3.09 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.706 2.271 . . . . 0.0 112.437 -179.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -100.02 154.86 19.57 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.028 -0.606 . . . . 0.0 112.378 -178.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 20.7 ptm -148.04 78.25 9.7 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.07 0.462 . . . . 0.0 110.906 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -56.63 -50.96 10.18 Favored 'Trans proline' 0 CA--C 1.546 1.123 0 C-N-CA 123.085 2.524 . . . . 0.0 114.73 178.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -62.75 125.39 15.95 Favored 'Trans proline' 0 C--N 1.361 1.22 0 C-N-CA 122.057 1.838 . . . . 0.0 113.043 -174.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -135.44 149.58 20.01 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 111.342 -0.703 . . . . 0.0 111.342 176.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 121.26 47.17 0.31 Allowed Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.635 -0.793 . . . . 0.0 111.765 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 99' ' ' ARG . 41.3 ttp180 -119.69 141.87 48.99 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -175.68 -143.53 4.65 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 101' ' ' ARG . 7.4 ttp180 -130.37 39.94 3.58 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -79.56 55.99 4.45 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.683 -0.689 . . . . 0.0 112.5 -177.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 85.4 mtt180 58.23 31.29 20.62 Favored 'General case' 0 C--O 1.231 0.126 0 C-N-CA 122.856 0.462 . . . . 0.0 111.966 176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -97.97 17.17 59.16 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.277 -178.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 105' ' ' GLN . 15.7 mm-40 -67.13 -52.36 42.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.716 0.293 . . . . 0.0 110.777 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.255 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.062 178.944 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.778 H5'' ' HB2' ' A' ' 28' ' ' ARG . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 C3'-C2'-C1' 100.19 -1.455 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.587 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.426 -0.879 0 C3'-C2'-C1' 102.758 1.398 . 0.01 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.763 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C4'-C3'-C2' 105.669 2.969 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.763 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.429 -0.706 0 P-O3'-C3' 122.634 2.445 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.719 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.948 1 C4'-C3'-C2' 106.966 4.266 . 0.11 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 111.953 -0.459 . . . . 0.0 111.953 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.8 179.1 0.2 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.405 0.621 . . . . 0.0 111.984 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 16.7 tpt -155.17 127.93 8.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.637 -0.711 . . . . 0.0 109.723 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 65.16 94.67 0.06 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.925 0.766 . . . . 0.0 110.873 -178.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -90.4 125.52 35.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.685 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 144.93 97.65 0.23 Allowed Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.32 177.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 37.0 m -80.62 92.0 5.9 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.134 0.492 . . . . 0.0 109.986 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 -131.51 137.03 48.36 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.144 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.3 pt -110.99 165.71 6.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.586 -178.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -168.32 174.45 43.11 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.893 -0.67 . . . . 0.0 111.471 179.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.11 70.71 2.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.598 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 109.18 106.08 3.01 Favored Glycine 0 N--CA 1.442 -0.937 0 N-CA-C 111.529 -0.629 . . . . 0.0 111.529 -176.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 37.8 pt -120.2 138.62 50.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.719 ' HA ' ' HA ' ' A' ' 59' ' ' HIS . 0.2 OUTLIER -94.72 136.73 34.68 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.588 0.709 . . . . 0.0 111.136 178.46 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.1 m -117.21 138.96 25.39 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-N 114.588 -1.187 . . . . 0.0 111.217 -173.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 93.4 Cg_endo -86.43 126.92 2.74 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.865 2.377 . . . . 0.0 112.381 177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 8.7 p -122.73 129.45 25.02 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.669 -177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -47.79 129.42 17.48 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.695 2.263 . . . . 0.0 112.014 176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.731 ' HA ' HG13 ' A' ' 22' ' ' VAL . 92.5 mtt180 -68.33 -15.93 63.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.806 0.336 . . . . 0.0 111.58 -174.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -77.48 -3.87 42.64 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.623 0.249 . . . . 0.0 111.36 173.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.664 ' O ' HG22 ' A' ' 24' ' ' VAL . 23.4 m -136.07 15.49 3.28 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 120.738 0.304 . . . . 0.0 111.597 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.731 HG13 ' HA ' ' A' ' 19' ' ' ARG . 2.8 m -62.06 -43.19 97.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 C-N-CA 120.914 -0.314 . . . . 0.0 111.625 -179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -78.27 -32.67 42.44 Favored Glycine 0 N--CA 1.442 -0.966 0 C-N-CA 120.254 -0.974 . . . . 0.0 111.711 -179.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.664 HG22 ' O ' ' A' ' 21' ' ' SER . 1.5 m -59.03 -36.07 60.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-N 116.938 0.369 . . . . 0.0 111.943 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.864 HG12 HD22 ' A' ' 77' ' ' LEU . 4.2 m -82.01 -30.04 9.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.34 -177.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.894 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 2.5 pp -83.47 -27.86 7.64 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.131 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.165 177.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.497 ' O ' HD12 ' A' ' 26' ' ' ILE . . . 101.21 -178.63 28.09 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.849 173.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -74.78 -10.47 59.54 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.801 0.334 . . . . 0.0 111.162 -178.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.0 m -157.29 21.1 0.3 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.151 -175.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.63 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 76.86 -6.5 40.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.388 -0.911 . . . . 0.0 112.93 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -57.99 -32.49 67.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.264 0.554 . . . . 0.0 110.574 177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.401 ' HB3' ' C ' ' A' ' 26' ' ' ILE . 15.4 tpt -75.92 -41.97 50.27 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.646 -0.706 . . . . 0.0 111.101 -175.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.894 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 11.0 tp -69.04 -30.75 47.68 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.374 -0.53 . . . . 0.0 109.994 179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.34 -20.22 60.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.393 178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -72.23 -44.3 63.09 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 172.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.657 HD12 HD12 ' A' ' 33' ' ' ILE . 58.8 mt -60.66 -43.94 95.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.806 176.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.504 ' HG3' ' O ' ' A' ' 33' ' ' ILE . 26.7 mt-30 -61.16 -42.74 99.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.008 176.395 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -71.27 -41.58 69.84 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.212 -176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -64.94 -41.91 95.1 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.542 -177.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.46 -21.42 20.17 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.36 47.93 6.64 Favored Glycine 0 N--CA 1.454 -0.165 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.692 -177.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.7 m -133.46 177.52 6.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.005 0.431 . . . . 0.0 111.701 -174.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -128.73 108.48 10.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.48 171.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.493 HD13 HD11 ' A' ' 74' ' ' ILE . 48.6 mt -94.5 124.43 46.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 -175.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -115.81 106.76 14.21 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.81 -176.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -74.29 127.18 32.34 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 175.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -71.7 148.46 46.4 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.117 178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -61.06 -49.75 76.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 -176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -157.23 111.6 2.69 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.403 177.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -85.13 -57.26 3.16 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.51 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.34 16.41 40.46 Favored Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.05 -0.595 . . . . 0.0 112.335 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.6 p -72.75 -20.12 61.25 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -175.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 140.15 -126.97 3.37 Favored Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.59 179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.552 ' HG2' ' OE2' ' A' ' 55' ' ' GLU . 87.0 Cg_endo -85.29 8.67 4.47 Favored 'Trans proline' 0 N--CA 1.461 -0.389 0 C-N-CA 123.021 2.481 . . . . 0.0 112.53 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.552 ' OE2' ' HG2' ' A' ' 54' ' ' PRO . 1.8 mp0 -116.07 161.51 18.79 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.403 0.621 . . . . 0.0 111.186 176.266 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.547 ' HE3' ' O6 ' ' B' ' 3' ' ' ' G' . 9.7 tppt? -113.92 142.37 46.22 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.689 -1.141 . . . . 0.0 108.173 174.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.488 HG23 ' HB2' ' A' ' 14' ' ' ASP . 24.5 mm -92.92 124.68 45.43 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.69 0.757 . . . . 0.0 111.406 178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -122.44 106.67 11.25 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.737 -1.119 . . . . 0.0 110.041 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.719 ' HA ' ' HA ' ' A' ' 14' ' ' ASP . 54.9 t60 -79.83 105.26 10.99 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.888 0.375 . . . . 0.0 110.601 -176.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.488 HG21 ' HB3' ' A' ' 70' ' ' ALA . 35.8 mt -82.23 111.84 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.143 177.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 23.3 ttm -101.14 128.78 47.07 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.878 -174.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 158.74 -172.31 35.56 Favored Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.706 -0.759 . . . . 0.0 111.531 175.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HD2' ' HD2' ' A' ' 66' ' ' ARG . 54.4 Cg_exo -54.83 134.61 63.96 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 122.489 2.126 . . . . 0.0 111.089 174.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.641 ' O ' ' HG3' ' A' ' 68' ' ' GLU . 80.8 Cg_exo -51.27 -32.37 40.89 Favored 'Trans proline' 0 C--O 1.222 -0.28 0 C-N-CA 124.071 3.181 . . . . 0.0 114.206 -173.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -72.24 -35.77 68.93 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.096 0.474 . . . . 0.0 110.601 176.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.552 ' HD2' ' HD2' ' A' ' 63' ' ' PRO . 92.1 mtt180 -75.46 -31.44 60.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.308 -178.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 13.9 p -68.68 -32.98 73.18 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 64' ' ' PRO . 43.8 mt-10 -63.62 -51.86 63.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.703 172.519 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.538 ' O ' HG13 ' A' ' 73' ' ' ILE . 6.4 t-160 -50.99 -50.84 57.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.117 177.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.488 ' HB3' HG21 ' A' ' 60' ' ' ILE . . . -63.35 -42.69 98.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.705 -178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.29 92.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.096 0.474 . . . . 0.0 110.682 178.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 87.3 mtt180 -65.84 -35.41 80.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.052 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 69' ' ' HIS . 77.1 mt -63.66 -48.27 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 120.669 0.271 . . . . 0.0 110.712 179.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.578 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 85.5 mt -66.44 -43.21 91.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.669 -179.059 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -62.49 -44.97 95.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.41 178.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.34 -39.48 93.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.202 0.525 . . . . 0.0 110.625 177.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.864 HD22 HG12 ' A' ' 25' ' ' VAL . 9.3 tt -59.58 -53.84 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.094 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 29.1 mt -57.4 -47.01 82.85 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-O 121.354 0.597 . . . . 0.0 110.662 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -58.65 -31.5 68.21 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.588 -178.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.6 m -77.19 -16.54 59.05 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.919 0.39 . . . . 0.0 111.182 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 21.2 mt -90.6 -6.8 54.19 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.119 0.485 . . . . 0.0 109.718 178.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 22.9 ttp180 -75.21 75.28 2.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.101 -177.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -81.58 89.93 6.24 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.182 0.515 . . . . 0.0 110.783 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 152.02 113.19 0.55 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.83 -0.7 . . . . 0.0 111.912 -179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -64.74 146.75 89.07 Favored 'Trans proline' 0 N--CA 1.464 -0.236 0 C-N-CA 122.722 2.281 . . . . 0.0 111.36 178.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -74.38 59.36 4.68 Favored 'Trans proline' 0 CA--C 1.53 0.322 0 C-N-CA 122.708 2.272 . . . . 0.0 111.835 178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 130.18 -152.79 19.84 Favored Glycine 0 N--CA 1.447 -0.578 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -177.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.407 ' HA ' ' HD2' ' A' ' 89' ' ' PRO . 41.4 Cg_endo -69.37 122.77 9.55 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.354 2.036 . . . . 0.0 111.823 177.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 88' ' ' PRO . 20.1 Cg_endo -61.75 102.91 0.26 Allowed 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 122.894 2.396 . . . . 0.0 112.148 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.64 -62.43 3.86 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.177 -178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 88.52 -138.75 15.1 Favored Glycine 0 N--CA 1.446 -0.68 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.87 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 5.3 Cg_exo -76.94 119.99 5.29 Favored 'Trans proline' 0 N--CA 1.463 -0.317 0 C-N-CA 123.227 2.618 . . . . 0.0 112.223 -178.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -94.95 -126.26 4.74 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.497 176.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 22.0 ptp -118.36 99.11 51.66 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-O 121.211 0.529 . . . . 0.0 110.352 176.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.407 ' HA ' ' HD3' ' A' ' 96' ' ' PRO . 28.0 Cg_exo -62.83 154.91 63.07 Favored 'Trans proline' 0 C--O 1.235 0.358 0 C-N-CA 122.86 2.373 . . . . 0.0 112.372 179.339 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 12.7 Cg_exo -70.66 69.27 2.16 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 123.324 2.683 . . . . 0.0 112.276 178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 109.52 -50.83 0.74 Allowed Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.905 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 130.67 -150.12 19.21 Favored Glycine 0 N--CA 1.448 -0.556 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -98.29 61.77 1.46 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.18 0.515 . . . . 0.0 110.596 178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.57 -88.04 0.33 Allowed Glycine 0 N--CA 1.445 -0.7 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.856 178.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 62.96 94.11 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.108 0.563 . . . . 0.0 111.446 -178.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -153.7 167.37 32.07 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.873 177.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.8 tpp180 -83.58 -22.54 32.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.094 0.473 . . . . 0.0 110.073 178.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.59 137.32 23.32 Favored Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.78 -0.724 . . . . 0.0 111.677 177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -79.72 70.87 6.32 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.346 0.593 . . . . 0.0 109.751 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.901 179.612 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.505 ' N3 ' HG12 ' A' ' 24' ' ' VAL . . . . . . . . 0 O5'--C5' 1.425 -0.946 0 O4'-C4'-C3' 102.83 -1.907 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.461 " H4'" " H5'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.423 -1.035 0 O4'-C1'-C2' 108.257 1.327 . 0.068 1[ . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.816 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.425 -0.911 0 C4'-C3'-C2' 105.706 3.006 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.816 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.427 -0.834 0 P-O3'-C3' 122.583 2.402 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.591 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.426 -0.894 1 C4'-C3'-C2' 106.817 4.117 . 0.238 1b . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.609 0 N-CA-C 111.749 -0.54 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.63 14.1 9.61 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.17 0.588 . . . . 0.0 111.644 178.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -165.81 148.96 7.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.957 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -153.99 -178.52 7.14 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -77.02 89.56 3.56 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.475 0.655 . . . . 0.0 110.293 176.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -154.02 31.65 0.73 Allowed Glycine 0 N--CA 1.446 -0.667 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.213 -177.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 57.2 m -68.28 -23.74 64.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.234 0.54 . . . . 0.0 109.679 178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 8' ' ' ARG . 46.4 ttm180 -80.04 65.64 5.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.807 177.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.798 ' HB ' ' HB3' ' A' ' 64' ' ' PRO . 25.4 pt 39.12 66.69 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 CA-C-N 114.845 -1.07 . . . . 0.0 113.04 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' PRO . . . -92.11 -110.8 1.81 Allowed Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.751 -0.737 . . . . 0.0 111.594 176.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -103.92 61.63 0.42 Allowed Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.424 ' HA2' ' O ' ' A' ' 60' ' ' ILE . . . 105.28 137.29 8.94 Favored Glycine 0 N--CA 1.447 -0.602 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -174.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.503 ' CG2' ' HA ' ' A' ' 9' ' ' ILE . 36.6 pt -120.77 155.04 24.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 117.036 0.418 . . . . 0.0 111.601 -175.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 57' ' ' ILE . 52.2 m-20 -100.58 108.57 20.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.109 176.65 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.4 m -102.94 135.18 19.46 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.978 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -91.73 111.56 0.31 Allowed 'Trans proline' 0 N--CA 1.455 -0.79 0 C-N-CA 122.94 2.427 . . . . 0.0 112.858 179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.477 HG23 HD21 ' A' ' 78' ' ' LEU . 8.8 p -107.48 119.81 49.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.242 177.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_exo -39.33 126.15 1.37 Allowed 'Trans proline' 0 CA--C 1.529 0.264 0 C-N-CA 123.458 2.772 . . . . 0.0 113.169 178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.637 ' HA ' HG13 ' A' ' 22' ' ' VAL . 32.6 mtp180 -62.04 -21.84 65.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.839 -0.618 . . . . 0.0 112.259 -175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.555 ' HE1' ' HA2' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -91.2 14.13 15.16 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.991 176.388 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.652 ' O ' HG22 ' A' ' 24' ' ' VAL . 28.0 m -141.33 17.16 2.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.139 0.495 . . . . 0.0 110.686 175.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.637 HG13 ' HA ' ' A' ' 19' ' ' ARG . 4.2 m -62.46 -42.05 94.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.738 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.634 ' HA3' ' C8 ' ' B' ' 2' ' ' ' G' . . . -78.54 -35.17 33.4 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.422 -0.894 . . . . 0.0 111.956 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 21' ' ' SER . 1.4 m -57.12 -36.15 50.47 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.637 ' HA ' ' CD2' ' A' ' 77' ' ' LEU . 11.2 m -82.95 -29.86 8.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.961 -177.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.858 ' HA ' ' HB ' ' A' ' 33' ' ' ILE . 1.0 OUTLIER -81.95 -29.53 9.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 120.948 0.404 . . . . 0.0 110.756 178.691 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 104.1 174.66 25.42 Favored Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.349 176.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 -72.58 -24.91 61.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.173 0.511 . . . . 0.0 110.887 -177.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 17.8 t -131.54 16.62 4.88 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.384 0.611 . . . . 0.0 110.24 -178.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.556 ' HA3' " H1'" ' B' ' 4' ' ' ' G' . . . 72.99 -1.13 41.85 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.425 -0.893 . . . . 0.0 112.808 -177.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.581 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 44.1 mt-10 -66.48 -25.66 66.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.988 0.423 . . . . 0.0 110.861 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 36' ' ' ILE . 16.8 tpt -72.01 -44.32 63.62 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.355 -178.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.858 ' HB ' ' HA ' ' A' ' 26' ' ' ILE . 10.6 tp -69.47 -29.85 43.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 N-CA-C 110.204 -0.295 . . . . 0.0 110.204 178.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 49.3 mtmt -66.74 -36.02 81.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 175.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.0 tmtm? -65.46 -40.69 93.48 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 109.462 -0.569 . . . . 0.0 109.462 175.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.634 HD12 HD12 ' A' ' 33' ' ' ILE . 67.1 mt -62.64 -43.53 98.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.144 0.497 . . . . 0.0 109.869 177.447 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.633 ' HG2' HG13 ' A' ' 44' ' ' ILE . 28.4 mt-30 -63.12 -48.95 76.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.373 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -72.25 -42.15 65.98 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -175.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -57.02 -43.42 81.85 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.06 0.457 . . . . 0.0 110.924 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -90.99 -22.06 20.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.189 0.519 . . . . 0.0 111.881 -178.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.89 35.14 19.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.238 -179.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 35.1 m -119.86 175.84 3.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.955 0.407 . . . . 0.0 111.188 -176.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -124.04 120.6 32.88 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.293 174.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.633 HG13 ' HG2' ' A' ' 37' ' ' GLN . 22.2 mt -110.25 122.29 64.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 120.864 0.364 . . . . 0.0 110.982 -173.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' HG3' ' HB3' ' A' ' 59' ' ' HIS . 7.8 pt20 -118.19 119.53 34.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.697 177.147 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -71.23 129.93 40.15 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.863 0.363 . . . . 0.0 110.226 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.609 ' HD3' HG22 ' A' ' 57' ' ' ILE . 51.6 mtpt -96.66 -172.04 2.4 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.411 -176.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -102.58 123.62 46.63 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.474 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -99.93 126.15 46.04 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 171.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.22 30.84 2.35 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.32 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.64 26.14 59.44 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 -172.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.15 -22.26 28.89 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.398 -0.401 . . . . 0.0 111.286 -176.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.43 166.21 33.15 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.371 -0.919 . . . . 0.0 112.312 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -78.56 2.83 7.77 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.624 2.216 . . . . 0.0 111.733 174.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -112.97 167.41 10.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 121.619 0.723 . . . . 0.0 110.73 177.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -110.21 126.81 54.52 Favored 'General case' 0 C--N 1.313 -1.006 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.005 174.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.609 HG22 ' HD3' ' A' ' 47' ' ' LYS . 31.9 mm -83.56 126.63 40.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.986 0 CA-C-O 121.492 0.663 . . . . 0.0 110.455 178.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -120.7 129.15 53.54 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 114.943 -1.026 . . . . 0.0 109.807 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.514 ' HB3' ' HG3' ' A' ' 45' ' ' GLN . 17.8 t60 -94.59 98.91 11.16 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-O 120.883 0.373 . . . . 0.0 110.116 -175.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.424 ' O ' ' HA2' ' A' ' 12' ' ' GLY . 54.2 mt -83.81 112.54 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.767 177.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' MET . . . . . . . . . . . . . 55.4 mtm -105.01 148.23 26.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.027 0.441 . . . . 0.0 111.757 -176.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 140.07 -161.91 26.38 Favored Glycine 0 N--CA 1.439 -1.141 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.469 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 37.9 Cg_exo -63.17 131.97 34.55 Favored 'Trans proline' 0 N--CA 1.462 -0.35 0 C-N-CA 122.19 1.927 . . . . 0.0 110.368 173.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.798 ' HB3' ' HB ' ' A' ' 9' ' ' ILE . 76.0 Cg_exo -53.67 -36.48 81.59 Favored 'Trans proline' 0 N--CA 1.472 0.237 0 C-N-CA 123.901 3.067 . . . . 0.0 113.866 -172.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -70.75 -32.74 70.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.138 0.494 . . . . 0.0 110.364 179.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 94.4 mtt180 -75.75 -28.6 58.55 Favored 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.593 178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 66.2 m -63.68 -38.19 90.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.691 174.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -65.48 -47.65 75.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.2 176.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.473 ' O ' HG13 ' A' ' 73' ' ' ILE . 4.7 t60 -53.73 -50.05 66.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.953 176.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.04 -48.03 83.67 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.406 -179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.7 81.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.983 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.2 ttp85 -63.17 -36.24 82.97 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 69' ' ' HIS . 71.6 mt -65.33 -45.23 93.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.019 0.438 . . . . 0.0 110.598 179.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.5 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 88.7 mt -67.31 -45.5 85.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.367 179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.417 ' HA ' HD12 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -62.21 -43.2 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.301 179.263 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -56.51 -44.45 80.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.977 0.417 . . . . 0.0 110.558 175.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.637 ' CD2' ' HA ' ' A' ' 25' ' ' VAL . 19.4 tp -62.44 -45.95 90.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.584 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 41.6 mt -60.75 -43.3 98.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.518 0.675 . . . . 0.0 110.632 176.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -71.91 -29.48 64.37 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.051 -176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.0 t -67.68 -32.45 73.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 77' ' ' LEU . 42.5 mt -77.95 -63.57 1.36 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.569 175.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 51.7 ttp180 53.35 49.28 20.08 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 115.619 -0.718 . . . . 0.0 109.919 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 t -127.12 129.23 47.52 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.267 -174.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.555 ' HA2' ' HE1' ' A' ' 20' ' ' HIS . . . -99.07 -86.68 1.89 Allowed Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 111.514 -0.634 . . . . 0.0 111.514 177.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.418 ' HD3' ' HA3' ' A' ' 84' ' ' GLY . 36.3 Cg_endo -95.21 100.79 0.11 Allowed 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 123.509 2.806 . . . . 0.0 111.724 173.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.502 ' HD3' ' O ' ' A' ' 84' ' ' GLY . 14.1 Cg_exo -69.44 106.58 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.858 2.372 . . . . 0.0 112.113 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.4 ' HA3' ' HD3' ' A' ' 88' ' ' PRO . . . 131.76 -101.88 0.48 Allowed Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.749 -179.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HD3' ' HA3' ' A' ' 87' ' ' GLY . 13.1 Cg_endo -92.7 110.13 0.23 Allowed 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.556 2.837 . . . . 0.0 112.143 175.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 6.6 Cg_exo -73.75 61.58 4.58 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 123.111 2.54 . . . . 0.0 112.521 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -96.93 -55.1 1.23 Allowed Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.992 -0.623 . . . . 0.0 111.59 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 164.42 151.98 6.78 Favored Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.756 178.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -65.75 -30.18 50.35 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.572 2.182 . . . . 0.0 111.672 178.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -133.8 149.85 19.81 Favored Glycine 0 N--CA 1.443 -0.868 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.5 ' HB3' ' HD3' ' A' ' 95' ' ' PRO . 49.6 ttm -78.75 -45.48 1.89 Allowed Pre-proline 0 C--N 1.323 -0.576 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.522 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.5 ' HD3' ' HB3' ' A' ' 94' ' ' MET . 43.7 Cg_exo -59.28 116.43 3.27 Favored 'Trans proline' 0 C--N 1.357 0.982 0 C-N-CA 121.814 1.676 . . . . 0.0 111.773 172.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 95' ' ' PRO . 6.7 Cg_exo -73.42 159.46 46.5 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.193 2.595 . . . . 0.0 112.322 -175.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.09 -169.78 39.41 Favored Glycine 0 N--CA 1.445 -0.731 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.16 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -120.56 114.45 2.66 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.825 -0.702 . . . . 0.0 111.987 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 24.3 ptt180 -87.26 68.91 9.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.759 0.79 . . . . 0.0 110.444 179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.871 ' HA3' ' HB2' ' A' ' 103' ' ' ARG . . . 158.43 105.84 0.22 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 114.74 -1.118 . . . . 0.0 111.549 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ARG . . . . . . . . . . . . . 78.8 mtt180 -62.54 -34.69 77.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.124 0.487 . . . . 0.0 110.455 -177.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . . . . . . . . . . . -122.38 30.27 5.23 Favored Glycine 0 N--CA 1.448 -0.536 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 174.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.871 ' HB2' ' HA3' ' A' ' 100' ' ' GLY . 30.6 mtp180 -128.51 162.68 26.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.92 0.391 . . . . 0.0 110.583 -175.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 103.88 -110.82 3.71 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.847 -0.692 . . . . 0.0 111.394 -177.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -80.07 77.23 6.78 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-O 121.316 0.579 . . . . 0.0 110.175 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.572 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.953 -179.728 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ' A' . . . . . 0.468 ' H8 ' " O5'" ' B' ' 1' ' ' ' A' . . . . . . . . 0 O5'--C5' 1.425 -0.932 0 C3'-C2'-C1' 99.464 -2.262 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ' G' . . . . . 0.634 ' C8 ' ' HA3' ' A' ' 23' ' ' GLY . . . . . . . . 0 O5'--C5' 1.424 -1.001 0 O4'-C1'-C2' 108.355 1.396 . 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ' G' . . . . . 0.778 " H4'" " O5'" ' B' ' 4' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C4'-C3'-C2' 105.496 2.796 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ' G' . . . . . 0.778 " O5'" " H4'" ' B' ' 3' ' ' ' G' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ' U' . . . . . 0.526 ' H6 ' " O5'" ' B' ' 5' ' ' ' U' . . . . . . . . 0 O5'--C5' 1.425 -0.957 1 C4'-C3'-C2' 106.881 4.181 . 0.175 1b . 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_